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A1JFP

Summary
Name:3-[3,5-bis(chloranyl)phenyl]-4-ethyl-5-phenyl-1~{H}-pyrrole-2-carboxylic acid
Formula:C19 H15 Cl2 N O2
Formal charge:0
Formula weight:360.234 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[3,5-bis(chloranyl)phenyl]-4-ethyl-5-phenyl-1~{H}-pyrrole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H15Cl2NO2/c1-2-15-16(12-8-13(20)10-14(21)9-12)18(19(23)24)22-17(15)11-6-4-3-5-7-11/h3-10,22H,2H2,1H3,(H,23,24)
InChIKeyInChI1.06ZYHGYHQONLKUAG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCc1c([nH]c(C(O)=O)c1c2cc(Cl)cc(Cl)c2)c3ccccc3
SMILESCACTVS3.385CCc1c([nH]c(C(O)=O)c1c2cc(Cl)cc(Cl)c2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CCc1c(c([nH]c1c2ccccc2)C(=O)O)c3cc(cc(c3)Cl)Cl
SMILESOpenEye OEToolkits2.0.7CCc1c(c([nH]c1c2ccccc2)C(=O)O)c3cc(cc(c3)Cl)Cl

254917

PDB entries from 2026-06-10

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