4-(4-methylphenyl)-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid hydrochloride

Systemtic Name: 4-(4-methylphenyl)-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid hydrochloride Openeye Name: 2-(benzylamino)-4-oxo-4-(p-tolyl)butanoic acid hydrochloride CAS Name: 4-(4-methylphenyl)-4-oxo-2-[(phenylmethyl)amino]butanoic acid hydrochloride IUPAC Name: 2-(benzylamino)-4-(4-methylphenyl)-4-oxobutanoic acid hydrochloride Traditional Name: 2-(benzylamino)-4-keto-4-(p-tolyl)butyric acid hydrochloride Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)NCC2=CC=CC=C2.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)NCC2=CC=CC=C2.Cl

InChI

InChI=1S/C18H19NO3.ClH/c1-13-7-9-15(10-8-13)17(20)11-16(18(21)22)19-12-14-5-3-2-4-6-14;/h2-10,16,19H,11-12H2,1H3,(H,21,22);1H