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

Systemtic Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(phenylmethylsulfanyl)imidazole-4-carboxylic acid Openeye Name: 5-benzylsulfanyl-2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(phenylmethylthio)-4-imidazolecarboxylic acid IUPAC Name: 5-benzylsulfanyl-2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]imidazole-4-carboxylic acid Traditional Name: 5-(benzylthio)-2-butyl-3-[4-(2-carboxyphenyl)benzyl]imidazole-4-carboxylic acid Formula: C29H28N2O4S MolecularWeight: 500.60862

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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)SCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)SCC4=CC=CC=C4

InChI

InChI=1S/C29H28N2O4S/c1-2-3-13-25-30-27(36-19-21-9-5-4-6-10-21)26(29(34)35)31(25)18-20-14-16-22(17-15-20)23-11-7-8-12-24(23)28(32)33/h4-12,14-17H,2-3,13,18-19H2,1H3,(H,32,33)(H,34,35)