4-[2-[4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-pyrimidin-5-yl]ethynyl-methoxy-phosphoryl]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[2-[4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-pyrimidin-5-yl]ethynyl-methoxy-phosphoryl]-3-oxidanyl-butanoic acid Openeye Name: 4-[2-[4-(4-fluorophenyl)-6-isopropyl-2-phenyl-pyrimidin-5-yl]ethynyl-methoxy-phosphoryl]-3-hydroxy-butanoic acid CAS Name: 4-[2-[4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-5-pyrimidinyl]ethynyl-methoxyphosphoryl]-3-hydroxybutanoic acid IUPAC Name: 4-[2-[4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]ethynyl-methoxyphosphoryl]-3-hydroxybutanoic acid Traditional Name: 4-[2-[4-(4-fluorophenyl)-6-isopropyl-2-phenyl-pyrimidin-5-yl]ethynyl-methoxy-phosphoryl]-3-hydroxy-butyric acid Formula: C26H26FN2O5P MolecularWeight: 496.467204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1C#CP(=O)(CC(CC(=O)O)O)OC)C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=NC(=C1C#CP(=O)(CC(CC(=O)O)O)OC)C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C26H26FN2O5P/c1-17(2)24-22(13-14-35(33,34-3)16-21(30)15-23(31)32)25(18-9-11-20(27)12-10-18)29-26(28-24)19-7-5-4-6-8-19/h4-12,17,21,30H,15-16H2,1-3H3,(H,31,32)