
 CHEMBL307235

 58 61  0  0  0  0  0  0  0  0999 V2000
    1.0239   -0.7587    2.8733 C   0  0  0  0  0
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    1.3288   -1.5322    3.5796 H   0  0  0  0  0
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    2.3655   -6.2160    0.4611 H   0  0  0  0  0
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    0.6582    2.3851   -0.2084 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 32  1  0  0  0
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  2 20  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
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  4  5  1  0  0  0
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  5  6  1  0  0  0
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  5 14  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
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  8  9  1  0  0  0
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  9 10  1  0  0  0
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 28 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL307235

>  <PubChem CID>
15177773

>  <Formula>
C23H28Cl2N2O3

>  <Molecular Weight>
451.388000

>  <IUPAC Name>
2-(3,4-dichlorophenyl)-N-methyl-N-[(5S,7S,8S)-3-methylidene-2-oxo-8-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-7-yl]acetamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C1CC2(CCC1N3CCCC3)CC(=C)C(=O)O2)C(=O)CC4=CC(=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
CN([C@H]1C[C@]2(CC[C@@H]1N3CCCC3)CC(=C)C(=O)O2)C(=O)CC4=CC(=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C23H28Cl2N2O3/c1-15-13-23(30-22(15)29)8-7-19(27-9-3-4-10-27)20(14-23)26(2)21(28)12-16-5-6-17(24)18(25)11-16/h5-6,11,19-20H,1,3-4,7-10,12-14H2,2H3/t19-,20-,23-/m0/s1

>  <InChI Key>
AIGXNGMYDUNNBN-JTAQYXEDSA-N

