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

Systemtic Name: ethyl (E)-7-[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate Openeye Name: ethyl (E)-7-[2-(dimethylamino)-4-(4-fluorophenyl)-3-quinolyl]-5-hydroxy-3-oxo-hept-6-enoate CAS Name: (E)-7-[2-(dimethylamino)-4-(4-fluorophenyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-3-yl]-5-hydroxy-3-oxohept-6-enoate Traditional Name: (E)-7-[2-(dimethylamino)-4-(4-fluorophenyl)-3-quinolyl]-5-hydroxy-3-keto-hept-6-enoic acid ethyl ester Formula: C26H27FN2O4 MolecularWeight: 450.501983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CC(C=CC1=C(C2=CC=CC=C2N=C1N(C)C)C3=CC=C(C=C3)F)O

Isomeric SMILES

CCOC(=O)CC(=O)CC(/C=C/C1=C(C2=CC=CC=C2N=C1N(C)C)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C26H27FN2O4/c1-4-33-24(32)16-20(31)15-19(30)13-14-22-25(17-9-11-18(27)12-10-17)21-7-5-6-8-23(21)28-26(22)29(2)3/h5-14,19,30H,4,15-16H2,1-3H3/b14-13+