[2-[5-cyano-6-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]carbonyl-4-fluoranyl-phenyl] 3-cyclopentylpropanoate

Systemtic Name: [2-[5-cyano-6-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]carbonyl-4-fluoranyl-phenyl] 3-cyclopentylpropanoate Openeye Name: [2-(1-benzyl-5-cyano-6-oxo-pyridine-3-carbonyl)-4-fluoro-phenyl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [2-[[5-cyano-6-oxo-1-(phenylmethyl)-3-pyridinyl]-oxomethyl]-4-fluorophenyl] ester IUPAC Name: [2-(1-benzyl-5-cyano-6-oxopyridine-3-carbonyl)-4-fluorophenyl] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [2-(1-benzyl-5-cyano-6-keto-nicotinoyl)-4-fluoro-phenyl] ester Formula: C28H25FN2O4 MolecularWeight: 472.507503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)OC2=C(C=C(C=C2)F)C(=O)C3=CN(C(=O)C(=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)CCC(=O)OC2=C(C=C(C=C2)F)C(=O)C3=CN(C(=O)C(=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C28H25FN2O4/c29-23-11-12-25(35-26(32)13-10-19-6-4-5-7-19)24(15-23)27(33)22-14-21(16-30)28(34)31(18-22)17-20-8-2-1-3-9-20/h1-3,8-9,11-12,14-15,18-19H,4-7,10,13,17H2