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

Systemtic Name: (3R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (3R)-3-(benzylammonio)-4-(2-cyanoanilino)-4-oxo-butanoate CAS Name: (3R)-4-(2-cyanoanilino)-4-oxo-3-[(phenylmethyl)ammonio]butanoate IUPAC Name: (3R)-3-(benzylazaniumyl)-4-(2-cyanoanilino)-4-oxobutanoate Traditional Name: (3R)-3-(benzylammonio)-4-(2-cyanoanilino)-4-keto-butyrate Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(CC(=O)[O-])C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+][C@H](CC(=O)[O-])C(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C18H17N3O3/c19-11-14-8-4-5-9-15(14)21-18(24)16(10-17(22)23)20-12-13-6-2-1-3-7-13/h1-9,16,20H,10,12H2,(H,21,24)(H,22,23)/t16-/m1/s1