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

Systemtic Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-ethylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-ethylsulfanyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(ethylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-ethylsulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-(2-carboxyphenyl)benzyl]-5-(ethylthio)imidazole-4-carboxylic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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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)SCC

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O4S/c1-3-5-10-20-25-22(31-4-2)21(24(29)30)26(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)23(27)28/h6-9,11-14H,3-5,10,15H2,1-2H3,(H,27,28)(H,29,30)