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

Systemtic Name: (2R)-4-[(4-ethylphenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-2-(benzylammonio)-4-(4-ethylanilino)-4-oxo-butanoate CAS Name: (2R)-4-(4-ethylanilino)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-2-(benzylazaniumyl)-4-(4-ethylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(benzylammonio)-4-(4-ethylanilino)-4-keto-butyrate Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O3/c1-2-14-8-10-16(11-9-14)21-18(22)12-17(19(23)24)20-13-15-6-4-3-5-7-15/h3-11,17,20H,2,12-13H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1