1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-imidazole-4,5-dicarboxylic acid

Systemtic Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-imidazole-4,5-dicarboxylic acid Openeye Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-imidazole-4,5-dicarboxylic acid CAS Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methylimidazole-4,5-dicarboxylic acid IUPAC Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methylimidazole-4,5-dicarboxylic acid Traditional Name: 1-[4-(2-carboxyphenyl)benzyl]-2-methyl-imidazole-4,5-dicarboxylic acid Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C20H16N2O6/c1-11-21-16(19(25)26)17(20(27)28)22(11)10-12-6-8-13(9-7-12)14-4-2-3-5-15(14)18(23)24/h2-9H,10H2,1H3,(H,23,24)(H,25,26)(H,27,28)