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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC(=O)C(C1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)C(=O)O)O

Isomeric SMILES

C=CC(CC(=O)C(C1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)C(=O)O)O

InChI

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