4-[[5-[(4-fluorophenyl)methylamino]pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-[(4-fluorophenyl)methylamino]pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-[(4-fluorophenyl)methylamino]-2-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-[(4-fluorophenyl)methylamino]pyridin-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[5-[(4-fluorobenzyl)amino]-2-pyridyl]amino]-4-keto-butyric acid Formula: C16H16FN3O3 MolecularWeight: 317.314943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CN=C(C=C2)NC(=O)CCC(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CNC2=CN=C(C=C2)NC(=O)CCC(=O)O)F

InChI

InChI=1S/C16H16FN3O3/c17-12-3-1-11(2-4-12)9-18-13-5-6-14(19-10-13)20-15(21)7-8-16(22)23/h1-6,10,18H,7-9H2,(H,22,23)(H,19,20,21)