7-fluoranyl-8-[2-(2-fluoranyl-4-octoxy-phenyl)pyrimidin-5-yl]oxy-octan-4-one

Systemtic Name: 7-fluoranyl-8-[2-(2-fluoranyl-4-octoxy-phenyl)pyrimidin-5-yl]oxy-octan-4-one Openeye Name: 7-fluoro-8-[2-(2-fluoro-4-octoxy-phenyl)pyrimidin-5-yl]oxy-octan-4-one CAS Name: 7-fluoro-8-[[2-(2-fluoro-4-octoxyphenyl)-5-pyrimidinyl]oxy]-4-octanone IUPAC Name: 7-fluoro-8-[2-(2-fluoro-4-octoxyphenyl)pyrimidin-5-yl]oxyoctan-4-one Traditional Name: 7-fluoro-8-[2-(2-fluoro-4-octoxy-phenyl)pyrimidin-5-yl]oxy-octan-4-one Formula: C26H36F2N2O3 MolecularWeight: 462.572446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C2=NC=C(C=N2)OCC(CCC(=O)CCC)F)F

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C2=NC=C(C=N2)OCC(CCC(=O)CCC)F)F

InChI

InChI=1S/C26H36F2N2O3/c1-3-5-6-7-8-9-15-32-22-13-14-24(25(28)16-22)26-29-17-23(18-30-26)33-19-20(27)11-12-21(31)10-4-2/h13-14,16-18,20H,3-12,15,19H2,1-2H3