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

Systemtic Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(hydroxymethyl)-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(hydroxymethyl)-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(hydroxymethyl)-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(hydroxymethyl)-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[4-(2-carboxyphenyl)benzyl]-5-methylol-2-propyl-imidazole-4-carboxylic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-2-5-19-23-18(13-25)20(22(28)29)24(19)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21(26)27/h3-4,6-11,25H,2,5,12-13H2,1H3,(H,26,27)(H,28,29)