4-[[6-[(2-chlorophenyl)methylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[6-[(2-chlorophenyl)methylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[6-[(2-chlorophenyl)methylamino]-3-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[6-[(2-chlorophenyl)methylamino]pyridin-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[6-[(2-chlorobenzyl)amino]-3-pyridyl]amino]-4-keto-butyric acid Formula: C16H16ClN3O3 MolecularWeight: 333.76954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NC=C(C=C2)NC(=O)CCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NC=C(C=C2)NC(=O)CCC(=O)O)Cl

InChI

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