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

Systemtic Name: (2R)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-2-(benzylammonio)-4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: (2R)-4-oxo-4-(4-phenoxyanilino)-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-2-(benzylazaniumyl)-4-oxo-4-(4-phenoxyanilino)butanoate Traditional Name: (2R)-2-(benzylammonio)-4-keto-4-(4-phenoxyanilino)butyrate Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+][C@H](CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C23H22N2O4/c26-22(15-21(23(27)28)24-16-17-7-3-1-4-8-17)25-18-11-13-20(14-12-18)29-19-9-5-2-6-10-19/h1-14,21,24H,15-16H2,(H,25,26)(H,27,28)/t21-/m1/s1