4-[2-[2-(4-fluoranyl-3-methyl-phenyl)-4-propan-2-yl-quinolin-3-yl]ethynyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[2-[2-(4-fluoranyl-3-methyl-phenyl)-4-propan-2-yl-quinolin-3-yl]ethynyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid Openeye Name: 4-[2-[2-(4-fluoro-3-methyl-phenyl)-4-isopropyl-3-quinolyl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butanoic acid CAS Name: 4-[2-[2-(4-fluoro-3-methylphenyl)-4-propan-2-yl-3-quinolinyl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoic acid IUPAC Name: 4-[2-[2-(4-fluoro-3-methylphenyl)-4-propan-2-ylquinolin-3-yl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoic acid Traditional Name: 4-[2-[2-(4-fluoro-3-methyl-phenyl)-4-isopropyl-3-quinolyl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butyric acid Formula: C25H25FNO5P MolecularWeight: 469.441864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3C(=C2C#CP(=O)(CC(CC(=O)O)O)O)C(C)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3C(=C2C#CP(=O)(CC(CC(=O)O)O)O)C(C)C)F

InChI

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