(2R)-4-[(4-methylphenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(4-methylphenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate Openeye Name: (2R)-4-(4-methylanilino)-4-oxo-2-(phenethylammonio)butanoate CAS Name: (2R)-4-(4-methylanilino)-4-oxo-2-(phenethylammonio)butanoate IUPAC Name: (2R)-4-(4-methylanilino)-4-oxo-2-(phenethylazaniumyl)butanoate Traditional Name: (2R)-4-keto-2-(phenethylammonio)-4-(p-toluidino)butyrate Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O3/c1-14-7-9-16(10-8-14)21-18(22)13-17(19(23)24)20-12-11-15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1