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

Systemtic Name: (2R)-2-(2-methoxyethylazaniumyl)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]butanoate Openeye Name: (2R)-4-(4-anilinoanilino)-2-(2-methoxyethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-anilinoanilino)-2-(2-methoxyethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-anilinoanilino)-2-(2-methoxyethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-anilinoanilino)-4-keto-2-(2-methoxyethylammonio)butyrate Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH2+]C(CC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

COCC[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C19H23N3O4/c1-26-12-11-20-17(19(24)25)13-18(23)22-16-9-7-15(8-10-16)21-14-5-3-2-4-6-14/h2-10,17,20-21H,11-13H2,1H3,(H,22,23)(H,24,25)/t17-/m1/s1