4-[2-[2-ethyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-pyridin-3-yl]ethynyl-methoxy-phosphoryl]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[2-[2-ethyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-pyridin-3-yl]ethynyl-methoxy-phosphoryl]-3-oxidanyl-butanoic acid Openeye Name: 4-[2-[2-ethyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridyl]ethynyl-methoxy-phosphoryl]-3-hydroxy-butanoic acid CAS Name: 4-[2-[2-ethyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]ethynyl-methoxyphosphoryl]-3-hydroxybutanoic acid IUPAC Name: 4-[2-[2-ethyl-4-(4-fluorophenyl)-5-methyl-6-phenylpyridin-3-yl]ethynyl-methoxyphosphoryl]-3-hydroxybutanoic acid Traditional Name: 4-[2-[2-ethyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridyl]ethynyl-methoxy-phosphoryl]-3-hydroxy-butyric acid Formula: C27H27FNO5P MolecularWeight: 495.479144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=C1C#CP(=O)(CC(CC(=O)O)O)OC)C2=CC=C(C=C2)F)C)C3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=C(C(=C1C#CP(=O)(CC(CC(=O)O)O)OC)C2=CC=C(C=C2)F)C)C3=CC=CC=C3

InChI

InChI=1S/C27H27FNO5P/c1-4-24-23(14-15-35(33,34-3)17-22(30)16-25(31)32)26(19-10-12-21(28)13-11-19)18(2)27(29-24)20-8-6-5-7-9-20/h5-13,22,30H,4,16-17H2,1-3H3,(H,31,32)