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

Systemtic Name: (E)-7-[5-(4-fluorophenyl)-3-propan-2-yl-1-quinolin-2-yl-pyrazol-4-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid Openeye Name: (E)-7-[5-(4-fluorophenyl)-3-isopropyl-1-(2-quinolyl)pyrazol-4-yl]-5-hydroxy-3-oxo-hept-6-enoic acid CAS Name: (E)-7-[5-(4-fluorophenyl)-3-propan-2-yl-1-(2-quinolinyl)-4-pyrazolyl]-5-hydroxy-3-oxo-6-heptenoic acid IUPAC Name: (E)-7-[5-(4-fluorophenyl)-3-propan-2-yl-1-quinolin-2-ylpyrazol-4-yl]-5-hydroxy-3-oxohept-6-enoic acid Traditional Name: (E)-7-[5-(4-fluorophenyl)-3-isopropyl-1-(2-quinolyl)pyrazol-4-yl]-5-hydroxy-3-keto-hept-6-enoic acid Formula: C28H26FN3O4 MolecularWeight: 487.522143

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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=NC4=CC=CC=C4C=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=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H26FN3O4/c1-17(2)27-23(13-12-21(33)15-22(34)16-26(35)36)28(19-7-10-20(29)11-8-19)32(31-27)25-14-9-18-5-3-4-6-24(18)30-25/h3-14,17,21,33H,15-16H2,1-2H3,(H,35,36)/b13-12+