3-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethyl-5-(hydroxymethyl)imidazole-4-carboxylic acid

Systemtic Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethyl-5-(hydroxymethyl)imidazole-4-carboxylic acid Openeye Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethyl-5-(hydroxymethyl)imidazole-4-carboxylic acid CAS Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethyl-5-(hydroxymethyl)-4-imidazolecarboxylic acid IUPAC Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethyl-5-(hydroxymethyl)imidazole-4-carboxylic acid Traditional Name: 3-[4-(2-carboxyphenyl)benzyl]-2-ethyl-5-methylol-imidazole-4-carboxylic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-2-18-22-17(12-24)19(21(27)28)23(18)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)20(25)26/h3-10,24H,2,11-12H2,1H3,(H,25,26)(H,27,28)