6439112
  -OEChem-04232403222D

 49 53  0     1  0  0  0  0  0999 V2000
    3.4039   -0.6672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2874    1.0204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6151    3.0895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6831   -0.8065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    2.2805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -1.4490    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5274    0.7417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3929   -2.4244    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6508   -0.6672    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6264    0.3078    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4283    0.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7210   -1.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4217   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    1.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    1.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0711   -1.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274    2.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7834   -3.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424    3.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7717   -3.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219    2.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2084    4.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7584   -0.8904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2007   -3.0138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1416    0.6943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0483    0.3078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5663    0.9122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1057   -1.4915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5385   -2.1608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4688   -1.7180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1653   -2.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0640   -0.3173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4826   -2.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5985   -1.4472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3950   -4.0031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    0.5054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    3.6526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    1.7346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6769   -4.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3844   -3.7674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8664   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088    3.3189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7748    4.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9562    4.5695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6420    3.7509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 16  2  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
  4 36  1  0  0  0  0
  5 16  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  2  0  0  0  0
 15 18  1  0  0  0  0
 15 20  2  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 21  2  0  0  0  0
 19 23  1  0  0  0  0
 19 39  1  0  0  0  0
 20 22  1  0  0  0  0
 20 40  1  0  0  0  0
 21 24  1  0  0  0  0
 21 41  1  0  0  0  0
 22 24  2  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6439112

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
606

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8SIAABIAAAFgBAAAAHgAUAAAADzzhmAYywILQBACIAiVSUACCAAAhAgAoiIEIZIgIIDbAlZGGIAhm9AHIyAe82POPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(7Z)-7-ethylidene-1'-methoxy-spiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indoline]-2'-one

> <PUBCHEM_IUPAC_CAS_NAME>
(7Z)-7-ethylidene-1'-methoxy-2'-spiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(7<I>Z</I>)-7-ethylidene-1&apos;-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.0<SUP>4,9</SUP>]dodecane-2,3&apos;-indole]-2&apos;-one

> <PUBCHEM_IUPAC_NAME>
(7Z)-7-ethylidene-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(7Z)-7-ethylidene-1'-methoxy-spiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(7Z)-7-ethylidene-1'-methoxy-spiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indoline]-2'-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H24N2O3/c1-3-12-10-21-16-9-20(18-8-13(12)14(16)11-25-18)15-6-4-5-7-17(15)22(24-2)19(20)23/h3-7,13-14,16,18,21H,8-11H2,1-2H3/b12-3+

> <PUBCHEM_IUPAC_INCHIKEY>
ZXRGGMATGWCUBP-KGVSQERTSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
340.17869263

> <PUBCHEM_MOLECULAR_FORMULA>
C20H24N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
340.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC=C1CNC2CC3(C4CC1C2CO4)C5=CC=CC=C5N(C3=O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C=C/1\CNC2CC3(C4CC1C2CO4)C5=CC=CC=C5N(C3=O)OC

> <PUBCHEM_CACTVS_TPSA>
50.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
340.17869263

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
5

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  3
15  18  8
15  20  8
18  21  8
20  22  8
21  24  8
22  24  8
6  13  3
7  11  3
8  12  3
9  11  3

$$$$
