46948223
  -OEChem-05112408092D

 56 59  0     1  0  0  0  0  0999 V2000
    8.8600   -2.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2607    0.1308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4137    2.0680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -2.8817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.2722    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0864   -0.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -2.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7936    0.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6908    1.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9679    1.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7780    2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5008    2.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3479    0.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3980    3.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3572   -1.2436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6827   -0.5160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3790   -0.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -3.4710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -3.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3596    0.6421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4020    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7142    2.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -1.3870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6010    1.1051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7819    0.7923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0947   -0.0269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0147    3.5348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3343    4.0877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2181    1.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    1.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
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  2 28  1  0  0  0  0
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  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
 10 14  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
46948223

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
666

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgBUAAAHgAQAAAADgyBmAIyxoLABACIAqVSUACCCAAlIgAIiAEGbMgMJjLEtZuEMShk1BHI6Yec3PLPqAACAAAKAABQAAQAABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[(5-acetyl-2-methoxy-phenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1<I>H</I>-indol-2-one

> <PUBCHEM_IUPAC_NAME>
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[(5-ethanoyl-2-methoxy-phenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(5-acetyl-2-methoxy-benzyl)-5-(2-methoxyphenyl)-3-methyl-oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H25NO4/c1-16(28)17-10-12-23(30-3)19(13-17)15-26(2)21-14-18(9-11-22(21)27-25(26)29)20-7-5-6-8-24(20)31-4/h5-14H,15H2,1-4H3,(H,27,29)

> <PUBCHEM_IUPAC_INCHIKEY>
URFFEDIUNMMOFH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
415.17835828

> <PUBCHEM_MOLECULAR_FORMULA>
C26H25NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
415.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)C1=CC(=C(C=C1)OC)CC2(C3=C(C=CC(=C3)C4=CC=CC=C4OC)NC2=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)C1=CC(=C(C=C1)OC)CC2(C3=C(C=CC(=C3)C4=CC=CC=C4OC)NC2=O)C

> <PUBCHEM_CACTVS_TPSA>
64.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
415.17835828

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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  14  8
12  17  8
12  18  8
13  15  8
14  16  8
15  16  8
17  21  8
18  20  8
19  23  8
19  24  8
20  22  8
21  22  8
23  26  8
24  27  8
26  29  8
27  29  8
6  11  3
7  10  8
7  13  8

$$$$