
 CHEMBL427035

 58 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL427035

>  <PubChem CID>
11326896

>  <Formula>
C24H29NO4

>  <Molecular Weight>
395.499000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(=O)N(C1CCC(CC2=CC=CC=C2)O)CCCC3=CC=C(C=C3)C(=O)O

>  <Isomeric SMILES>
C1CC(=O)N(C1CCC(CC2=CC=CC=C2)O)CCCC3=CC=C(C=C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C24H29NO4/c26-22(17-19-5-2-1-3-6-19)14-12-21-13-15-23(27)25(21)16-4-7-18-8-10-20(11-9-18)24(28)29/h1-3,5-6,8-11,21-22,26H,4,7,12-17H2,(H,28,29)

>  <InChI Key>
DQLDMXGXNPDHDY-UHFFFAOYSA-N

