4-[2-[4-tert-butyl-2-(4-fluorophenyl)quinolin-3-yl]ethynyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[2-[4-tert-butyl-2-(4-fluorophenyl)quinolin-3-yl]ethynyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid Openeye Name: 4-[2-[4-tert-butyl-2-(4-fluorophenyl)-3-quinolyl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butanoic acid CAS Name: 4-[2-[4-tert-butyl-2-(4-fluorophenyl)-3-quinolinyl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoic acid IUPAC Name: 4-[2-[4-tert-butyl-2-(4-fluorophenyl)quinolin-3-yl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoic acid Traditional Name: 4-[2-[4-tert-butyl-2-(4-fluorophenyl)-3-quinolyl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butyric acid Formula: C25H25FNO5P MolecularWeight: 469.441864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=NC2=CC=CC=C21)C3=CC=C(C=C3)F)C#CP(=O)(CC(CC(=O)O)O)O

Isomeric SMILES

CC(C)(C)C1=C(C(=NC2=CC=CC=C21)C3=CC=C(C=C3)F)C#CP(=O)(CC(CC(=O)O)O)O

InChI

InChI=1S/C25H25FNO5P/c1-25(2,3)23-19-6-4-5-7-21(19)27-24(16-8-10-17(26)11-9-16)20(23)12-13-33(31,32)15-18(28)14-22(29)30/h4-11,18,28H,14-15H2,1-3H3,(H,29,30)(H,31,32)