Chem
J-GLOBAL ID：200907013560215295   Nikkaji number：J2.731.702B

2-(tert-Butoxycarbonyl)-4-(acetoxymethyl)-1H-pyrrole-3-propanoic acid allyl ester

2-(tert-ブトキシカルボニル)-4-(アセトキシメチル)-1H-ピロール-3-プロパン酸アリル
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： C18H25NO6
Molecular formula furigana： C18-H25-N-O6
Molecular weight： 351.399
InChI： InChI=1S/C18H25NO6/c1-6-9-23-15(21)8-7-14-13(11-24-12(2)20)10-19-16(14)17(22)25-18(3,4)5/h6,10,19H,1,7-9,11H2,2-5H3
InChI key： JJFMYSUJUGYRPG-UHFFFAOYSA-N
SMILES： CC(=O)OCc1c[nH]c(C(=O)OC(C)(C)C)c1CCC(=O)OCC=C
Systematic name  (3)：
  • 2-(tert-ブトキシカルボニル)-4-(アセトキシメチル)-1H-ピロール-3-プロパン酸アリル
  • tert-ブチル 4-[(アセチルオキシ)メチル]-3-[3-オキソ-3-(プロパ-2-エン-1-イルオキシ)プロピル]-1H-ピロール-2-カルボキシラート
  • tert-butyl 4-[(acetyloxy)methyl]-3-[3-oxo-3-(prop-2-en-1-yloxy)propyl]-1H-pyrrole-2-carboxylate
Other name (1)：
  • 2-(tert-Butoxycarbonyl)-4-(acetoxymethyl)-1H-pyrrole-3-propanoic acid allyl ester
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