2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-hydroxyethylsulfanyl)imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-hydroxyethylsulfanyl)imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-hydroxyethylsulfanyl)imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-hydroxyethylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-hydroxyethylsulfanyl)imidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-(2-carboxyphenyl)benzyl]-5-(2-hydroxyethylthio)imidazole-4-carboxylic acid Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)SCCO

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)SCCO

InChI

InChI=1S/C24H26N2O5S/c1-2-3-8-20-25-22(32-14-13-27)21(24(30)31)26(20)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)23(28)29/h4-7,9-12,27H,2-3,8,13-15H2,1H3,(H,28,29)(H,30,31)