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

Systemtic Name: 2-butyl-3-[(3-carboxy-4-phenyl-phenyl)methyl]-5-ethylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[(3-carboxy-4-phenyl-phenyl)methyl]-5-ethylsulfanyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[(3-carboxy-4-phenylphenyl)methyl]-5-(ethylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(3-carboxy-4-phenylphenyl)methyl]-5-ethylsulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-(3-carboxy-4-phenyl-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=C3)C(=O)O)C(=O)O)SCC

Isomeric SMILES

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

InChI

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