[4-(4-fluorophenyl)quinolin-3-yl] 2-cyclopropyl-5-oxidanyl-3-oxidanylidene-hept-6-enoate

Systemtic Name: [4-(4-fluorophenyl)quinolin-3-yl] 2-cyclopropyl-5-oxidanyl-3-oxidanylidene-hept-6-enoate Openeye Name: [4-(4-fluorophenyl)-3-quinolyl] 2-cyclopropyl-5-hydroxy-3-oxo-hept-6-enoate CAS Name: 2-cyclopropyl-5-hydroxy-3-oxo-6-heptenoic acid [4-(4-fluorophenyl)-3-quinolinyl] ester IUPAC Name: [4-(4-fluorophenyl)quinolin-3-yl] 2-cyclopropyl-5-hydroxy-3-oxohept-6-enoate Traditional Name: 2-cyclopropyl-5-hydroxy-3-keto-hept-6-enoic acid [4-(4-fluorophenyl)-3-quinolyl] ester Formula: C25H22FNO4 MolecularWeight: 419.444883

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC(=O)C(C1CC1)C(=O)OC2=C(C3=CC=CC=C3N=C2)C4=CC=C(C=C4)F)O

Isomeric SMILES

C=CC(CC(=O)C(C1CC1)C(=O)OC2=C(C3=CC=CC=C3N=C2)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C25H22FNO4/c1-2-18(28)13-21(29)24(16-7-8-16)25(30)31-22-14-27-20-6-4-3-5-19(20)23(22)15-9-11-17(26)12-10-15/h2-6,9-12,14,16,18,24,28H,1,7-8,13H2