methyl 5-tert-butyl-3-(1H-imidazol-5-ylmethyl)-2-oxidanyl-benzoate hydrochloride

Systemtic Name: methyl 5-tert-butyl-3-(1H-imidazol-5-ylmethyl)-2-oxidanyl-benzoate hydrochloride Openeye Name: methyl 5-tert-butyl-2-hydroxy-3-(1H-imidazol-5-ylmethyl)benzoate hydrochloride CAS Name: 5-tert-butyl-2-hydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid methyl ester hydrochloride IUPAC Name: methyl 5-tert-butyl-2-hydroxy-3-(1H-imidazol-5-ylmethyl)benzoate hydrochloride Traditional Name: 5-tert-butyl-2-hydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid methyl ester hydrochloride Formula: C16H21ClN2O3 MolecularWeight: 324.80254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(=O)OC)O)CC2=CN=CN2.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(=O)OC)O)CC2=CN=CN2.Cl

InChI

InChI=1S/C16H20N2O3.ClH/c1-16(2,3)11-5-10(6-12-8-17-9-18-12)14(19)13(7-11)15(20)21-4;/h5,7-9,19H,6H2,1-4H3,(H,17,18);1H