(E)-7-[5-cyano-2-(4-fluorophenyl)-6-methyl-4-propan-2-yl-pyridin-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid

Systemtic Name: (E)-7-[5-cyano-2-(4-fluorophenyl)-6-methyl-4-propan-2-yl-pyridin-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid Openeye Name: (E)-7-[5-cyano-2-(4-fluorophenyl)-4-isopropyl-6-methyl-3-pyridyl]-5-hydroxy-3-oxo-hept-6-enoic acid CAS Name: (E)-7-[5-cyano-2-(4-fluorophenyl)-6-methyl-4-propan-2-yl-3-pyridinyl]-5-hydroxy-3-oxo-6-heptenoic acid IUPAC Name: (E)-7-[5-cyano-2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridin-3-yl]-5-hydroxy-3-oxohept-6-enoic acid Traditional Name: (E)-7-[5-cyano-2-(4-fluorophenyl)-4-isopropyl-6-methyl-3-pyridyl]-5-hydroxy-3-keto-hept-6-enoic acid Formula: C23H23FN2O4 MolecularWeight: 410.438123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1C#N)C(C)C)C=CC(CC(=O)CC(=O)O)O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=NC(=C(C(=C1C#N)C(C)C)/C=C/C(CC(=O)CC(=O)O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C23H23FN2O4/c1-13(2)22-19(9-8-17(27)10-18(28)11-21(29)30)23(26-14(3)20(22)12-25)15-4-6-16(24)7-5-15/h4-9,13,17,27H,10-11H2,1-3H3,(H,29,30)/b9-8+