
 CHEMBL208411

 68 71  0  0  0  0  0  0  0  0999 V2000
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  1 36  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL208411

>  <PubChem CID>
11351910

>  <Formula>
C30H33NO4

>  <Molecular Weight>
471.597000

>  <IUPAC Name>
4-[3-[2-[3-hydroxy-4-(3-phenylphenyl)butyl]-5-oxopyrrolidin-1-yl]propyl]benzoic acid

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(=O)N(C1CCC(CC2=CC=CC(=C2)C3=CC=CC=C3)O)CCCC4=CC=C(C=C4)C(=O)O

>  <Isomeric SMILES>
C1CC(=O)N(C1CCC(CC2=CC=CC(=C2)C3=CC=CC=C3)O)CCCC4=CC=C(C=C4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C30H33NO4/c32-28(21-23-6-4-10-26(20-23)24-8-2-1-3-9-24)17-15-27-16-18-29(33)31(27)19-5-7-22-11-13-25(14-12-22)30(34)35/h1-4,6,8-14,20,27-28,32H,5,7,15-19,21H2,(H,34,35)

>  <InChI Key>
FBSYWZQEXIMEQD-UHFFFAOYSA-N

