2-(furan-2-ylmethylamino)-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid hydrochloride

Systemtic Name: 2-(furan-2-ylmethylamino)-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid hydrochloride Openeye Name: 2-(2-furylmethylamino)-4-oxo-4-(p-tolyl)butanoic acid hydrochloride CAS Name: 2-(2-furanylmethylamino)-4-(4-methylphenyl)-4-oxobutanoic acid hydrochloride IUPAC Name: 2-(furan-2-ylmethylamino)-4-(4-methylphenyl)-4-oxobutanoic acid hydrochloride Traditional Name: 2-(2-furfurylamino)-4-keto-4-(p-tolyl)butyric acid hydrochloride Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)NCC2=CC=CO2.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)NCC2=CC=CO2.Cl

InChI

InChI=1S/C16H17NO4.ClH/c1-11-4-6-12(7-5-11)15(18)9-14(16(19)20)17-10-13-3-2-8-21-13;/h2-8,14,17H,9-10H2,1H3,(H,19,20);1H