Chem
J-GLOBAL ID：200907001608994978   Nikkaji number：J1.413.269D

Ethyl 2-cyano-3-methyl-2-(2-methylbenzyl)butyrate

2-シアノ-3-メチル-2-(2-メチルベンジル)酪酸エチル
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： C16H21NO2
Molecular formula furigana： C16-H21-N-O2
Molecular weight： 259.349
InChI： InChI=1S/C16H21NO2/c1-5-19-15(18)16(11-17,12(2)3)10-14-9-7-6-8-13(14)4/h6-9,12H,5,10H2,1-4H3
InChI key： LZSRDINHDSZTSD-UHFFFAOYSA-N
SMILES： CCOC(=O)C(Cc1ccccc1C)(C#N)C(C)C
Systematic name  (4)：
  • 2-シアノ-2-(2-メチルベンジル)-3-メチルブタン酸エチル
  • 2-シアノ-3-メチル-2-(2-メチルベンジル)酪酸エチル
  • エチル 2-シアノ-3-メチル-2-[(2-メチルフェニル)メチル]ブタノアート
  • ethyl 2-cyano-3-methyl-2-[(2-methylphenyl)methyl]butanoate
Other name (3)：
  • 2-Cyano-2-(2-methylbenzyl)-3-methylbutanoic acid ethyl ester
  • 2-Cyano-3-methyl-2-(2-methylbenzyl)butyric acid ethyl ester
  • Ethyl 2-cyano-3-methyl-2-(2-methylbenzyl)butyrate
CAS registry number： 29107-35-5
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