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

Systemtic Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethyl-imidazole-4,5-dicarboxylic acid Openeye Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethyl-imidazole-4,5-dicarboxylic acid CAS Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethylimidazole-4,5-dicarboxylic acid IUPAC Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethylimidazole-4,5-dicarboxylic acid Traditional Name: 1-[4-(2-carboxyphenyl)benzyl]-2-ethyl-imidazole-4,5-dicarboxylic acid Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C21H18N2O6/c1-2-16-22-17(20(26)27)18(21(28)29)23(16)11-12-7-9-13(10-8-12)14-5-3-4-6-15(14)19(24)25/h3-10H,2,11H2,1H3,(H,24,25)(H,26,27)(H,28,29)