(2R)-4-[(4-chlorophenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (2R)-4-[(4-chlorophenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-2-(benzylammonio)-4-(4-chloroanilino)-4-oxo-butanoate CAS Name: (2R)-4-(4-chloroanilino)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-2-(benzylazaniumyl)-4-(4-chloroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(benzylammonio)-4-(4-chloroanilino)-4-keto-butyrate Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(CC(=O)NC2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+][C@H](CC(=O)NC2=CC=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C17H17ClN2O3/c18-13-6-8-14(9-7-13)20-16(21)10-15(17(22)23)19-11-12-4-2-1-3-5-12/h1-9,15,19H,10-11H2,(H,20,21)(H,22,23)/t15-/m1/s1