4-[(4-chlorophenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-[(4-chlorophenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)amino]butanoic acid Openeye Name: 3-(benzylamino)-4-(4-chloroanilino)-4-oxo-butanoic acid CAS Name: 4-(4-chloroanilino)-4-oxo-3-[(phenylmethyl)amino]butanoic acid IUPAC Name: 3-(benzylamino)-4-(4-chloroanilino)-4-oxobutanoic acid Traditional Name: 3-(benzylamino)-4-(4-chloroanilino)-4-keto-butyric acid Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC(=O)O)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC(=O)O)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H17ClN2O3/c18-13-6-8-14(9-7-13)20-17(23)15(10-16(21)22)19-11-12-4-2-1-3-5-12/h1-9,15,19H,10-11H2,(H,20,23)(H,21,22)