4-[(2-chlorophenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid

Systemtic Name: 4-[(2-chlorophenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid Openeye Name: 4-(2-chloroanilino)-4-oxo-2-(3-pyridylmethylamino)butanoic acid CAS Name: 4-(2-chloroanilino)-4-oxo-2-(3-pyridinylmethylamino)butanoic acid IUPAC Name: 4-(2-chloroanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid Traditional Name: 4-(2-chloroanilino)-4-keto-2-(3-pyridylmethylamino)butyric acid Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CC(C(=O)O)NCC2=CN=CC=C2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CC(C(=O)O)NCC2=CN=CC=C2)Cl

InChI

InChI=1S/C16H16ClN3O3/c17-12-5-1-2-6-13(12)20-15(21)8-14(16(22)23)19-10-11-4-3-7-18-9-11/h1-7,9,14,19H,8,10H2,(H,20,21)(H,22,23)