methyl 3-(1H-imidazol-5-yl)-2-[(phenylmethyl)amino]propanoate hydrochloride

Systemtic Name: methyl 3-(1H-imidazol-5-yl)-2-[(phenylmethyl)amino]propanoate hydrochloride Openeye Name: methyl 2-(benzylamino)-3-(1H-imidazol-5-yl)propanoate hydrochloride CAS Name: 3-(1H-imidazol-5-yl)-2-[(phenylmethyl)amino]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-(benzylamino)-3-(1H-imidazol-5-yl)propanoate hydrochloride Traditional Name: 2-(benzylamino)-3-(1H-imidazol-5-yl)propionic acid methyl ester hydrochloride Formula: C14H18ClN3O2 MolecularWeight: 295.76462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NCC2=CC=CC=C2.Cl

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NCC2=CC=CC=C2.Cl

InChI

InChI=1S/C14H17N3O2.ClH/c1-19-14(18)13(7-12-9-15-10-17-12)16-8-11-5-3-2-4-6-11;/h2-6,9-10,13,16H,7-8H2,1H3,(H,15,17);1H