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A1JFL

Summary
Name:3-[4-(2-hydroxy-2-oxoethyl)phenyl]-4-methyl-5-phenyl-1~{H}-pyrrole-2-carboxylic acid
Formula:C20 H17 N O4
Formal charge:0
Formula weight:335.353 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[4-(2-hydroxy-2-oxoethyl)phenyl]-4-methyl-5-phenyl-1~{H}-pyrrole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H17NO4/c1-12-17(14-9-7-13(8-10-14)11-16(22)23)19(20(24)25)21-18(12)15-5-3-2-4-6-15/h2-10,21H,11H2,1H3,(H,22,23)(H,24,25)
InChIKeyInChI1.06JKQPFRQIVPDAIA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1c([nH]c(C(O)=O)c1c2ccc(CC(O)=O)cc2)c3ccccc3
SMILESCACTVS3.385Cc1c([nH]c(C(O)=O)c1c2ccc(CC(O)=O)cc2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c([nH]c1c2ccccc2)C(=O)O)c3ccc(cc3)CC(=O)O
SMILESOpenEye OEToolkits2.0.7Cc1c(c([nH]c1c2ccccc2)C(=O)O)c3ccc(cc3)CC(=O)O

254917

PDB entries from 2026-06-10

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