Chem
J-GLOBAL ID:201107004833622505
Nikkaji number:J2.927.195J
(E)-3-Methoxy-2-[2-[6-[4-(5-carboxypentyl)-2-cyanophenoxy]-4-pyrimidinyloxy]phenyl]acrylic acid 1-methyl ester
(E)-3-メトキシ-2-[2-[6-[4-(5-カルボキシペンチル)-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
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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:
C28 H27 N3 O7
Molecular formula furigana:
C28-H27-N3-O7
Molecular weight:
517.538
InChI:
InChI=1S/C28H27N3O7/c1-35-17-22(28(34)36-2)21-9-6-7-10-24(21)38-26-15-25(30-18-31-26)37-23-13-12-19(14-20(23)16-29)8-4-3-5-11-27(32)33/h6-7,9-10,12-15,17-18H,3-5,8,11H2,1-2H3,(H,32,33)/b22-17+
InChI key:
JLDYNVIIBYUXGS-OQKWZONESA-N
SMILES:
CO/C=C(/C(=O)OC)\c1ccccc1Oc1cc(Oc2ccc(CCCCCC(=O)O)cc2C#N)ncn1
Systematic name (3):
(E)-3-メトキシ-2-[2-[6-[4-(5-カルボキシペンチル)-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-{3-シアノ-4-[(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-4-イル)オキシ]フェニル}ヘキサン酸
6-{3-cyano-4-[(6-{2-[(1E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]phenoxy}pyrimidin-4-yl)oxy]phenyl}hexanoic acid
Other name (1):
(E)-3-Methoxy-2-[2-[6-[4-(5-carboxypentyl)-2-cyanophenoxy]-4-pyrimidinyloxy]phenyl]acrylic acid 1-methyl ester
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