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

Systemtic Name: (2R)-2-(2-hydroxyethylazaniumyl)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]butanoate Openeye Name: (2R)-4-(4-anilinoanilino)-2-(2-hydroxyethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-anilinoanilino)-2-(2-hydroxyethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-anilinoanilino)-2-(2-hydroxyethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-anilinoanilino)-2-(2-hydroxyethylammonio)-4-keto-butyrate Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)CC(C(=O)[O-])[NH2+]CCO

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4/c22-11-10-19-16(18(24)25)12-17(23)21-15-8-6-14(7-9-15)20-13-4-2-1-3-5-13/h1-9,16,19-20,22H,10-12H2,(H,21,23)(H,24,25)/t16-/m1/s1