Chem
J-GLOBAL ID:200907017499812590   Nikkaji number:J1.484.104K

3-Fluoro-4-[5-(octyloxy)-2-pyrimidinyl]benzoic acid 2-fluoro-4-[[[1-(trifluoromethyl)heptyl]oxy]carbonyl]phenyl ester

3-フルオロ-4-[5-(オクチルオキシ)-2-ピリミジニル]安息香酸2-フルオロ-4-[[[1-(トリフルオロメチル)ヘプチル]オキシ]カルボニル]フェニル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C34H39F5N2O5
Molecular formula furigana: C34-H39-F5-N2-O5
Molecular weight: 650.687
InChI: InChI=1S/C34H39F5N2O5/c1-3-5-7-9-10-12-18-44-25-21-40-31(41-22-25)26-16-14-23(19-27(26)35)32(42)45-29-17-15-24(20-28(29)36)33(43)46-30(34(37,38)39)13-11-8-6-4-2/h14-17,19-22,30H,3-13,18H2,1-2H3
InChI key: KSWZVUWGMDHDMH-UHFFFAOYSA-N
SMILES: CCCCCCCCOc1cnc(nc1)c1ccc(cc1F)C(=O)Oc1ccc(cc1F)C(=O)OC(CCCCCC)C(F)(F)F
Systematic name  (3):
  • 3-フルオロ-4-[5-(オクチルオキシ)-2-ピリミジニル]安息香酸2-フルオロ-4-[[[1-(トリフルオロメチル)ヘプチル]オキシ]カルボニル]フェニル
  • 2-フルオロ-4-{[(1,1,1-トリフルオロオクタン-2-イル)オキシ]カルボニル}フェニル 3-フルオロ-4-[5-(オクチルオキシ)ピリミジン-2-イル]ベンゾアート
  • 2-fluoro-4-{[(1,1,1-trifluorooctan-2-yl)oxy]carbonyl}phenyl 3-fluoro-4-[5-(octyloxy)pyrimidin-2-yl]benzoate
Other name (1):
  • 3-Fluoro-4-[5-(octyloxy)-2-pyrimidinyl]benzoic acid 2-fluoro-4-[[[1-(trifluoromethyl)heptyl]oxy]carbonyl]phenyl ester
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