
 CHEMBL70311

 58 61  0  0  0  0  0  0  0  0999 V2000
    1.1540    0.0852    2.1834 C   0  0  0  0  0
    1.5094   -0.5081    0.8960 N   0  0  0  0  0
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    1.8596    0.8914    2.4017 H   0  0  0  0  0
    1.1789   -0.6624    2.9782 H   0  0  0  0  0
    3.3667   -0.9908    0.1560 H   0  0  0  0  0
    3.6747   -0.7642    2.5812 H   0  0  0  0  0
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    3.8034   -4.5992    1.7802 H   0  0  0  0  0
    4.2320   -2.9556   -0.7688 H   0  0  0  0  0
    3.4584   -4.5131   -0.6743 H   0  0  0  0  0
    1.7929   -2.6762   -0.8191 H   0  0  0  0  0
    1.8699   -5.7251    0.3256 H   0  0  0  0  0
    0.8037   -4.8356   -0.7888 H   0  0  0  0  0
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   -1.3562   -0.1682   -2.2438 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 32  1  0  0  0
  1 33  1  0  0  0
  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
  7 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL70311

>  <PubChem CID>
15177774

>  <Formula>
C23H28Cl2N2O3

>  <Molecular Weight>
451.388000

>  <IUPAC Name>
2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,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-SXWKCWPCSA-N

