ethyl (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate

Systemtic Name: ethyl (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate Openeye Name: ethyl (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-5-hydroxy-3-oxo-hept-6-enoate CAS Name: (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-hydroxy-3-oxohept-6-enoate Traditional Name: (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-5-hydroxy-3-keto-hept-6-enoic acid ethyl ester Formula: C27H26FNO4 MolecularWeight: 447.498043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CC(C=CC1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)O

Isomeric SMILES

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

InChI

InChI=1S/C27H26FNO4/c1-2-33-25(32)16-21(31)15-20(30)13-14-23-26(17-9-11-19(28)12-10-17)22-5-3-4-6-24(22)29-27(23)18-7-8-18/h3-6,9-14,18,20,30H,2,7-8,15-16H2,1H3/b14-13+