Chem
J-GLOBAL ID：201107057920655327   Nikkaji number：J2.927.205K

(E)-3-Methoxy-2-[2-[2-[5-(tert-butoxycarbonyl)pentyl]-6-(2-cyanophenoxy)-4-pyrimidinyloxy]phenyl]acrylic acid methyl ester

(E)-3-メトキシ-2-[2-[2-[5-(tert-ブトキシカルボニル)ペンチル]-6-(2-シアノフェノキシ)-4-ピリミジニルオキシ]フェニル]アクリル酸メチル
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： C32H35N3O7
Molecular formula furigana： C32-H35-N3-O7
Molecular weight： 573.646
InChI： InChI=1S/C32H35N3O7/c1-32(2,3)42-30(36)18-8-6-7-17-27-34-28(40-25-15-11-9-13-22(25)20-33)19-29(35-27)41-26-16-12-10-14-23(26)24(21-38-4)31(37)39-5/h9-16,19,21H,6-8,17-18H2,1-5H3/b24-21+
InChI key： QXELKIVVRSBGEE-DARPEHSRSA-N
SMILES： CO/C=C(/C(=O)OC)\c1ccccc1Oc1cc(Oc2ccccc2C#N)nc(CCCCCC(=O)OC(C)(C)C)n1
Systematic name  (3)：
  • (E)-3-メトキシ-2-[2-[2-[5-(tert-ブトキシカルボニル)ペンチル]-6-(2-シアノフェノキシ)-4-ピリミジニルオキシ]フェニル]アクリル酸メチル
  • tert-ブチル 6-[4-(2-シアノフェノキシ)-6-{2-[(1E)-1,3-ジメトキシ-3-オキソプロパ-1-エン-2-イル]フェノキシ}ピリミジン-2-イル]ヘキサノアート
  • tert-butyl 6-[4-(2-cyanophenoxy)-6-{2-[(1E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]phenoxy}pyrimidin-2-yl]hexanoate
Other name (1)：
  • (E)-3-Methoxy-2-[2-[2-[5-(tert-butoxycarbonyl)pentyl]-6-(2-cyanophenoxy)-4-pyrimidinyloxy]phenyl]acrylic acid methyl ester
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