(E,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid

Systemtic Name: (E,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid Openeye Name: (E,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-5-hydroxy-3-oxo-hept-6-enoic acid CAS Name: (E,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoic acid IUPAC Name: (E,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-hydroxy-3-oxohept-6-enoic acid Traditional Name: (E,5S)-7-[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:

C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(=O)CC(=O)O)O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/[C@H](CC(=O)CC(=O)O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18,28H,5-6,13-14H2,(H,30,31)/b12-11+/t18-/m1/s1