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

Systemtic Name: (2R)-4-[(3-methylphenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-2-(benzylammonio)-4-(3-methylanilino)-4-oxo-butanoate CAS Name: (2R)-4-(3-methylanilino)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-2-(benzylazaniumyl)-4-(3-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(benzylammonio)-4-keto-4-(m-toluidino)butyrate Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O3/c1-13-6-5-9-15(10-13)20-17(21)11-16(18(22)23)19-12-14-7-3-2-4-8-14/h2-10,16,19H,11-12H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1