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

Systemtic Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-methylsulfonyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-methylsulfonyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-methylsulfonyl-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-methylsulfonylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-(2-carboxyphenyl)benzyl]-5-mesyl-imidazole-4-carboxylic acid Formula: C23H24N2O6S MolecularWeight: 456.51146

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O6S/c1-3-4-9-19-24-21(32(2,30)31)20(23(28)29)25(19)14-15-10-12-16(13-11-15)17-7-5-6-8-18(17)22(26)27/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,26,27)(H,28,29)