Chem
J-GLOBAL ID：201107099969568017   Nikkaji number：J2.927.196H

(E)-3-(5-Carboxypentoxy)-2-[2-[6-(2-cyanophenoxy)-4-pyrimidinyloxy]phenyl]acrylic acid 1-methyl ester

(E)-3-(5-カルボキシペントキシ)-2-[2-[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1-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： C27H25N3O7
Molecular formula furigana： C27-H25-N3-O7
Molecular weight： 503.511
InChI： InChI=1S/C27H25N3O7/c1-34-27(33)21(17-35-14-8-2-3-13-26(31)32)20-10-5-7-12-23(20)37-25-15-24(29-18-30-25)36-22-11-6-4-9-19(22)16-28/h4-7,9-12,15,17-18H,2-3,8,13-14H2,1H3,(H,31,32)/b21-17+
InChI key： UCWHLOJACOVTIT-HEHNFIMWSA-N
SMILES： COC(=O)/C(=C/OCCCCCC(=O)O)/c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
Systematic name  (3)：
  • (E)-3-(5-カルボキシペントキシ)-2-[2-[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1-メチル
  • 6-{[(1E)-2-(2-{[6-(2-シアノフェノキシ)ピリミジン-4-イル]オキシ}フェニル)-3-メトキシ-3-オキソプロパ-1-エン-1-イル]オキシ}ヘキサン酸
  • 6-{[(1E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxy-3-oxoprop-1-en-1-yl]oxy}hexanoic acid
Other name (1)：
  • (E)-3-(5-Carboxypentoxy)-2-[2-[6-(2-cyanophenoxy)-4-pyrimidinyloxy]phenyl]acrylic acid 1-methyl ester
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