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

Systemtic Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propyl-imidazole-4,5-dicarboxylic acid Openeye Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propyl-imidazole-4,5-dicarboxylic acid CAS Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propylimidazole-4,5-dicarboxylic acid IUPAC Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propylimidazole-4,5-dicarboxylic acid Traditional Name: 1-[4-(2-carboxyphenyl)benzyl]-2-propyl-imidazole-4,5-dicarboxylic acid Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C22H20N2O6/c1-2-5-17-23-18(21(27)28)19(22(29)30)24(17)12-13-8-10-14(11-9-13)15-6-3-4-7-16(15)20(25)26/h3-4,6-11H,2,5,12H2,1H3,(H,25,26)(H,27,28)(H,29,30)