3-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[4-(2-carboxyphenyl)benzyl]-2-propyl-imidazole-4-carboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-2-5-19-22-12-18(21(26)27)23(19)13-14-8-10-15(11-9-14)16-6-3-4-7-17(16)20(24)25/h3-4,6-12H,2,5,13H2,1H3,(H,24,25)(H,26,27)