Chem
J-GLOBAL ID:201107030852826961   Nikkaji number:J2.968.982B

[3-(4-Methoxybenzyloxy)propyl][2-[4-[3′-[2-(tert-butyldiphenylsilyloxy)ethyl]-4′-(2-hydroxy-3,3,4,4-tetrafluoro-5-oxo-1-cyclopentenyl)-5′-methyl-2,2′-bithiophene-5-yl]phenoxy]ethyl]carbamic acid tert-butyl ester

[3-(4-メトキシベンジルオキシ)プロピル][2-[4-[3′-[2-(tert-ブチルジフェニルシリルオキシ)エチル]-4′-(2-ヒドロキシ-3,3,4,4-テトラフルオロ-5-オキソ-1-シクロペンテニル)-5′-メチル-2,2′-ビチオフェン-5-イル]フェノキシ]エチル]カルバミド酸tert-ブチル
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: C56H61F4NO8S2Si
Molecular formula furigana: C56-H61-F4-N-O8-S2-SI
Molecular weight: 1044.300
InChI: InChI=1S/C56H61F4NO8S2Si/c1-37-47(48-50(62)55(57,58)56(59,60)51(48)63)44(30-34-68-72(54(5,6)7,42-16-11-9-12-17-42)43-18-13-10-14-19-43)49(70-37)46-29-28-45(71-46)39-22-26-41(27-23-39)67-35-32-61(52(64)69-53(2,3)4)31-15-33-66-36-38-20-24-40(65-8)25-21-38/h9-14,16-29,62H,15,30-36H2,1-8H3
InChI key: QTRCHBNZPYISDJ-UHFFFAOYSA-N
SMILES: COc1ccc(COCCCN(CCOc2ccc(cc2)c2ccc(s2)c2sc(C)c(C3=C(O)C(F)(F)C(F)(F)C3=O)c2CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)OC(C)(C)C)cc1
Systematic name  (3):
  • [3-(4-メトキシベンジルオキシ)プロピル][2-[4-[3′-[2-(tert-ブチルジフェニルシリルオキシ)エチル]-4′-(2-ヒドロキシ-3,3,4,4-テトラフルオロ-5-オキソ-1-シクロペンテニル)-5′-メチル-2,2′-ビチオフェン-5-イル]フェノキシ]エチル]カルバミド酸tert-ブチル
  • tert-ブチル N-{2-[4-(3'-{2-[(tert-ブチルジフェニルシリル)オキシ]エチル}-5'-メチル-4'-(3,3,4,4-テトラフルオロ-2-ヒドロキシ-5-オキソシクロペンタ-1-エン-1-イル)-[2,2'-ビチオフェン]-5-イル)フェノキシ]エチル}-N-{3-[(4-メトキシフェニル)メトキシ]プロピル}カルバマート
  • tert-butyl N-{2-[4-(3'-{2-[(tert-butyldiphenylsilyl)oxy]ethyl}-5'-methyl-4'-(3,3,4,4-tetrafluoro-2-hydroxy-5-oxocyclopent-1-en-1-yl)-[2,2'-bithiophen]-5-yl)phenoxy]ethyl}-N-{3-[(4-methoxyphenyl)methoxy]propyl}carbamate
Other name (1):
  • [3-(4-Methoxybenzyloxy)propyl][2-[4-[3′-[2-(tert-butyldiphenylsilyloxy)ethyl]-4′-(2-hydroxy-3,3,4,4-tetrafluoro-5-oxo-1-cyclopentenyl)-5′-methyl-2,2′-bithiophene-5-yl]phenoxy]ethyl]carbamic acid tert-butyl ester
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