ethyl 6-[4-(2-fluorophenyl)quinolin-2-yl]oxy-2,2-dimethyl-hexanoate

Systemtic Name: ethyl 6-[4-(2-fluorophenyl)quinolin-2-yl]oxy-2,2-dimethyl-hexanoate Openeye Name: ethyl 6-[[4-(2-fluorophenyl)-2-quinolyl]oxy]-2,2-dimethyl-hexanoate CAS Name: 6-[[4-(2-fluorophenyl)-2-quinolinyl]oxy]-2,2-dimethylhexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-(2-fluorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoate Traditional Name: 6-[[4-(2-fluorophenyl)-2-quinolyl]oxy]-2,2-dimethyl-hexanoic acid ethyl ester Formula: C25H28FNO3 MolecularWeight: 409.493123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCOC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCOC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3F

InChI

InChI=1S/C25H28FNO3/c1-4-29-24(28)25(2,3)15-9-10-16-30-23-17-20(18-11-5-7-13-21(18)26)19-12-6-8-14-22(19)27-23/h5-8,11-14,17H,4,9-10,15-16H2,1-3H3