(2R)-4-[(2-ethyl-6-methyl-phenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (2R)-4-[(2-ethyl-6-methyl-phenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-2-(benzylammonio)-4-(2-ethyl-6-methyl-anilino)-4-oxo-butanoate CAS Name: (2R)-4-(2-ethyl-6-methylanilino)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-2-(benzylazaniumyl)-4-(2-ethyl-6-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(benzylammonio)-4-(2-ethyl-6-methyl-anilino)-4-keto-butyrate Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CC=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CC=C2)C

InChI

InChI=1S/C20H24N2O3/c1-3-16-11-7-8-14(2)19(16)22-18(23)12-17(20(24)25)21-13-15-9-5-4-6-10-15/h4-11,17,21H,3,12-13H2,1-2H3,(H,22,23)(H,24,25)/t17-/m1/s1