4-[(2-methoxycarbonylphenyl)amino]-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2-methoxycarbonylphenyl)amino]-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: 4-(2-methoxycarbonylanilino)-2-(3-methoxypropylammonio)-4-oxo-butanoate CAS Name: 4-(2-methoxycarbonylanilino)-2-(3-methoxypropylammonio)-4-oxobutanoate IUPAC Name: 4-(2-methoxycarbonylanilino)-2-(3-methoxypropylazaniumyl)-4-oxobutanoate Traditional Name: 4-(2-carbomethoxyanilino)-4-keto-2-(3-methoxypropylammonio)butyrate Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[NH2+]C(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)[O-]

Isomeric SMILES

COCCC[NH2+]C(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)[O-]

InChI

InChI=1S/C16H22N2O6/c1-23-9-5-8-17-13(15(20)21)10-14(19)18-12-7-4-3-6-11(12)16(22)24-2/h3-4,6-7,13,17H,5,8-10H2,1-2H3,(H,18,19)(H,20,21)