4-[2-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-yl-pyrazol-4-yl]ethynyl-methoxy-phosphoryl]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[2-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-yl-pyrazol-4-yl]ethynyl-methoxy-phosphoryl]-3-oxidanyl-butanoic acid Openeye Name: 4-[2-[5-(4-fluorophenyl)-3-isopropyl-1-phenyl-pyrazol-4-yl]ethynyl-methoxy-phosphoryl]-3-hydroxy-butanoic acid CAS Name: 4-[2-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-yl-4-pyrazolyl]ethynyl-methoxyphosphoryl]-3-hydroxybutanoic acid IUPAC Name: 4-[2-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-ylpyrazol-4-yl]ethynyl-methoxyphosphoryl]-3-hydroxybutanoic acid Traditional Name: 4-[2-[5-(4-fluorophenyl)-3-isopropyl-1-phenyl-pyrazol-4-yl]ethynyl-methoxy-phosphoryl]-3-hydroxy-butyric acid Formula: C25H26FN2O5P MolecularWeight: 484.456504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1C#CP(=O)(CC(CC(=O)O)O)OC)C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NN(C(=C1C#CP(=O)(CC(CC(=O)O)O)OC)C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C25H26FN2O5P/c1-17(2)24-22(13-14-34(32,33-3)16-21(29)15-23(30)31)25(18-9-11-19(26)12-10-18)28(27-24)20-7-5-4-6-8-20/h4-12,17,21,29H,15-16H2,1-3H3,(H,30,31)