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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(C1=CC=C(C=C1)F)C(=O)C(C2CC2)C(=O)OC3=CC4=CC=CC=C4N=C3)O

Isomeric SMILES

C=CC(C(C1=CC=C(C=C1)F)C(=O)C(C2CC2)C(=O)OC3=CC4=CC=CC=C4N=C3)O

InChI

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