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

Systemtic Name: 4-[(2-methoxycarbonylphenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]butanoate Openeye Name: 3-(benzylammonio)-4-(2-methoxycarbonylanilino)-4-oxo-butanoate CAS Name: 4-(2-methoxycarbonylanilino)-4-oxo-3-[(phenylmethyl)ammonio]butanoate IUPAC Name: 3-(benzylazaniumyl)-4-(2-methoxycarbonylanilino)-4-oxobutanoate Traditional Name: 3-(benzylammonio)-4-(2-carbomethoxyanilino)-4-keto-butyrate Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O5/c1-26-19(25)14-9-5-6-10-15(14)21-18(24)16(11-17(22)23)20-12-13-7-3-2-4-8-13/h2-10,16,20H,11-12H2,1H3,(H,21,24)(H,22,23)