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

Systemtic Name: (2R)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-4-(4-anilinoanilino)-2-(benzylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-anilinoanilino)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-4-(4-anilinoanilino)-2-(benzylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-anilinoanilino)-2-(benzylammonio)-4-keto-butyrate Formula: C23H23N3O3 MolecularWeight: 389.44702

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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)NC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+][C@H](CC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C23H23N3O3/c27-22(15-21(23(28)29)24-16-17-7-3-1-4-8-17)26-20-13-11-19(12-14-20)25-18-9-5-2-6-10-18/h1-14,21,24-25H,15-16H2,(H,26,27)(H,28,29)/t21-/m1/s1