methyl 3-azanyl-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate hydrochloride

Systemtic Name: methyl 3-azanyl-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate hydrochloride Openeye Name: methyl 3-amino-4-(benzylamino)-4-oxo-butanoate hydrochloride CAS Name: 3-amino-4-oxo-4-[(phenylmethyl)amino]butanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-amino-4-(benzylamino)-4-oxobutanoate hydrochloride Traditional Name: 3-amino-4-(benzylamino)-4-keto-butyric acid methyl ester hydrochloride Formula: C12H17ClN2O3 MolecularWeight: 272.72798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)NCC1=CC=CC=C1)N.Cl

Isomeric SMILES

COC(=O)CC(C(=O)NCC1=CC=CC=C1)N.Cl

InChI

InChI=1S/C12H16N2O3.ClH/c1-17-11(15)7-10(13)12(16)14-8-9-5-3-2-4-6-9;/h2-6,10H,7-8,13H2,1H3,(H,14,16);1H