(2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-2-(benzylammonio)-4-(3-chloro-4-methyl-anilino)-4-oxo-butanoate CAS Name: (2R)-4-(3-chloro-4-methylanilino)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-2-(benzylazaniumyl)-4-(3-chloro-4-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(benzylammonio)-4-(3-chloro-4-methyl-anilino)-4-keto-butyrate Formula: C18H19ClN2O3 MolecularWeight: 346.80806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O3/c1-12-7-8-14(9-15(12)19)21-17(22)10-16(18(23)24)20-11-13-5-3-2-4-6-13/h2-9,16,20H,10-11H2,1H3,(H,21,22)(H,23,24)/t16-/m1/s1