
 CHEMBL381755

 69 72  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
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  1 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL381755

>  <PubChem CID>
11260304

>  <Formula>
C30H33NO5

>  <Molecular Weight>
487.596000

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

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(=O)N(C1CCC(CC2=CC(=CC=C2)OC3=CC=CC=C3)O)CCCC4=CC=C(C=C4)C(=O)O

>  <Isomeric SMILES>
C1CC(=O)N(C1CCC(CC2=CC(=CC=C2)OC3=CC=CC=C3)O)CCCC4=CC=C(C=C4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C30H33NO5/c32-26(20-23-6-4-10-28(21-23)36-27-8-2-1-3-9-27)17-15-25-16-18-29(33)31(25)19-5-7-22-11-13-24(14-12-22)30(34)35/h1-4,6,8-14,21,25-26,32H,5,7,15-20H2,(H,34,35)

>  <InChI Key>
SDEZJSYVFCHZOB-UHFFFAOYSA-N

