[2-fluoranyl-4-[5-(3-fluoranyl-4-octoxy-phenyl)pyrimidin-2-yl]phenyl] 2-fluoranylheptanoate

Systemtic Name: [2-fluoranyl-4-[5-(3-fluoranyl-4-octoxy-phenyl)pyrimidin-2-yl]phenyl] 2-fluoranylheptanoate Openeye Name: [2-fluoro-4-[5-(3-fluoro-4-octoxy-phenyl)pyrimidin-2-yl]phenyl] 2-fluoroheptanoate CAS Name: 2-fluoroheptanoic acid [2-fluoro-4-[5-(3-fluoro-4-octoxyphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-fluoro-4-[5-(3-fluoro-4-octoxyphenyl)pyrimidin-2-yl]phenyl] 2-fluoroheptanoate Traditional Name: 2-fluoroenanthic acid [2-fluoro-4-[5-(3-fluoro-4-octoxy-phenyl)pyrimidin-2-yl]phenyl] ester Formula: C31H37F3N2O3 MolecularWeight: 542.63229

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OC(=O)C(CCCCC)F)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OC(=O)C(CCCCC)F)F)F

InChI

InChI=1S/C31H37F3N2O3/c1-3-5-7-8-9-11-17-38-28-15-13-22(18-26(28)33)24-20-35-30(36-21-24)23-14-16-29(27(34)19-23)39-31(37)25(32)12-10-6-4-2/h13-16,18-21,25H,3-12,17H2,1-2H3