4-[2-[2-tert-butyl-1-(4-fluoranyl-3-methyl-phenyl)-6-phenyl-2H-pyridin-3-yl]ethynyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[2-[2-tert-butyl-1-(4-fluoranyl-3-methyl-phenyl)-6-phenyl-2H-pyridin-3-yl]ethynyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid Openeye Name: 4-[2-[2-tert-butyl-1-(4-fluoro-3-methyl-phenyl)-6-phenyl-2H-pyridin-3-yl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butanoic acid CAS Name: 4-[2-[2-tert-butyl-1-(4-fluoro-3-methylphenyl)-6-phenyl-2H-pyridin-3-yl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoic acid IUPAC Name: 4-[2-[2-tert-butyl-1-(4-fluoro-3-methylphenyl)-6-phenyl-2H-pyridin-3-yl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoic acid Traditional Name: 4-[2-[2-tert-butyl-1-(4-fluoro-3-methyl-phenyl)-6-phenyl-2H-pyridin-3-yl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butyric acid Formula: C28H31FNO5P MolecularWeight: 511.521604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(C(=CC=C2C3=CC=CC=C3)C#CP(=O)(CC(CC(=O)O)O)O)C(C)(C)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(C(=CC=C2C3=CC=CC=C3)C#CP(=O)(CC(CC(=O)O)O)O)C(C)(C)C)F

InChI

InChI=1S/C28H31FNO5P/c1-19-16-22(11-12-24(19)29)30-25(20-8-6-5-7-9-20)13-10-21(27(30)28(2,3)4)14-15-36(34,35)18-23(31)17-26(32)33/h5-13,16,23,27,31H,17-18H2,1-4H3,(H,32,33)(H,34,35)