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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1C#CP(=O)(CC(CC(=O)O)O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1C#CP(=O)(CC(CC(=O)O)O)OC)C3=CC=C(C=C3)F

InChI

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