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

Systemtic Name: quinolin-3-yl 4-(4-fluorophenyl)-5-oxidanyl-3-oxidanylidene-2-propan-2-yl-hept-6-enoate Openeye Name: 3-quinolyl 4-(4-fluorophenyl)-5-hydroxy-2-isopropyl-3-oxo-hept-6-enoate CAS Name: 4-(4-fluorophenyl)-5-hydroxy-3-oxo-2-propan-2-yl-6-heptenoic acid 3-quinolinyl ester IUPAC Name: quinolin-3-yl 4-(4-fluorophenyl)-5-hydroxy-3-oxo-2-propan-2-ylhept-6-enoate Traditional Name: 4-(4-fluorophenyl)-5-hydroxy-2-isopropyl-3-keto-hept-6-enoic acid 3-quinolyl ester Formula: C25H24FNO4 MolecularWeight: 421.460763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(C1=CC=C(C=C1)F)C(C=C)O)C(=O)OC2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CC(C)C(C(=O)C(C1=CC=C(C=C1)F)C(C=C)O)C(=O)OC2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C25H24FNO4/c1-4-21(28)23(16-9-11-18(26)12-10-16)24(29)22(15(2)3)25(30)31-19-13-17-7-5-6-8-20(17)27-14-19/h4-15,21-23,28H,1H2,2-3H3