(E)-7-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-yl-pyrazol-4-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid

Systemtic Name: (E)-7-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-yl-pyrazol-4-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid Openeye Name: (E)-7-[5-(4-fluorophenyl)-3-isopropyl-1-phenyl-pyrazol-4-yl]-5-hydroxy-3-oxo-hept-6-enoic acid CAS Name: (E)-7-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-yl-4-pyrazolyl]-5-hydroxy-3-oxo-6-heptenoic acid IUPAC Name: (E)-7-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-ylpyrazol-4-yl]-5-hydroxy-3-oxohept-6-enoic acid Traditional Name: (E)-7-[5-(4-fluorophenyl)-3-isopropyl-1-phenyl-pyrazol-4-yl]-5-hydroxy-3-keto-hept-6-enoic acid Formula: C25H25FN2O4 MolecularWeight: 436.475403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=NN(C(=C1/C=C/C(CC(=O)CC(=O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C25H25FN2O4/c1-16(2)24-22(13-12-20(29)14-21(30)15-23(31)32)25(17-8-10-18(26)11-9-17)28(27-24)19-6-4-3-5-7-19/h3-13,16,20,29H,14-15H2,1-2H3,(H,31,32)/b13-12+