tert-butyl 4-(4-chlorophenyl)-2-[4-(hydroxymethyl)phenyl]-1H-imidazole-5-carboxylate

Systemtic Name: tert-butyl 4-(4-chlorophenyl)-2-[4-(hydroxymethyl)phenyl]-1H-imidazole-5-carboxylate Openeye Name: tert-butyl 4-(4-chlorophenyl)-2-[4-(hydroxymethyl)phenyl]-1H-imidazole-5-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[4-(hydroxymethyl)phenyl]-1H-imidazole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-chlorophenyl)-2-[4-(hydroxymethyl)phenyl]-1H-imidazole-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-(4-methylolphenyl)-1H-imidazole-5-carboxylic acid tert-butyl ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=C(N1)C2=CC=C(C=C2)CO)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=C(N1)C2=CC=C(C=C2)CO)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O3/c1-21(2,3)27-20(26)18-17(14-8-10-16(22)11-9-14)23-19(24-18)15-6-4-13(12-25)5-7-15/h4-11,25H,12H2,1-3H3,(H,23,24)