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

Systemtic Name: 4-[2-[4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-pyridin-3-yl]ethynyl-methoxy-phosphoryl]-3-oxidanyl-butanoic acid Openeye Name: 4-[2-[4-(4-fluorophenyl)-2-isopropyl-6-methyl-3-pyridyl]ethynyl-methoxy-phosphoryl]-3-hydroxy-butanoic acid CAS Name: 4-[2-[4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]ethynyl-methoxyphosphoryl]-3-hydroxybutanoic acid IUPAC Name: 4-[2-[4-(4-fluorophenyl)-6-methyl-2-propan-2-ylpyridin-3-yl]ethynyl-methoxyphosphoryl]-3-hydroxybutanoic acid Traditional Name: 4-[2-[4-(4-fluorophenyl)-2-isopropyl-6-methyl-3-pyridyl]ethynyl-methoxy-phosphoryl]-3-hydroxy-butyric acid Formula: C22H25FNO5P MolecularWeight: 433.409764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CC=C(C=C2)F)C#CP(=O)(CC(CC(=O)O)O)OC)C(C)C

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CC=C(C=C2)F)C#CP(=O)(CC(CC(=O)O)O)OC)C(C)C

InChI

InChI=1S/C22H25FNO5P/c1-14(2)22-19(9-10-30(28,29-4)13-18(25)12-21(26)27)20(11-15(3)24-22)16-5-7-17(23)8-6-16/h5-8,11,14,18,25H,12-13H2,1-4H3,(H,26,27)