Chem
J-GLOBAL ID:200907025270391160   Nikkaji number:J1.794.052J

α-Cyano-α-[[1-oxo-2-[(dichloroacetyl)oxy]-3-methylbutyl]amino]-4-methoxybenzenepropanoic acid tert-butyl ester

α-シアノ-α-[[1-オキソ-2-[(ジクロロアセチル)オキシ]-3-メチルブチル]アミノ]-4-メトキシベンゼンプロパン酸tert-ブチル
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: C22H28Cl2N2O6
Molecular formula furigana: C22-H28-CL2-N2-O6
Molecular weight: 487.370
InChI: InChI=1S/C22H28Cl2N2O6/c1-13(2)16(31-19(28)17(23)24)18(27)26-22(12-25,20(29)32-21(3,4)5)11-14-7-9-15(30-6)10-8-14/h7-10,13,16-17H,11H2,1-6H3,(H,26,27)
InChI key: DQXWUGGNVLPLTM-UHFFFAOYSA-N
SMILES: COc1ccc(CC(NC(=O)C(OC(=O)C(Cl)Cl)C(C)C)(C#N)C(=O)OC(C)(C)C)cc1
Systematic name  (3):
  • α-シアノ-α-[[1-オキソ-2-[(ジクロロアセチル)オキシ]-3-メチルブチル]アミノ]-4-メトキシベンゼンプロパン酸tert-ブチル
  • tert-ブチル 2-シアノ-2-{2-[(2,2-ジクロロアセチル)オキシ]-3-メチルブタンアミド}-3-(4-メトキシフェニル)プロパノアート
  • tert-butyl 2-cyano-2-{2-[(2,2-dichloroacetyl)oxy]-3-methylbutanamido}-3-(4-methoxyphenyl)propanoate
Other name (1):
  • α-Cyano-α-[[1-oxo-2-[(dichloroacetyl)oxy]-3-methylbutyl]amino]-4-methoxybenzenepropanoic acid tert-butyl ester
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