Chem
J-GLOBAL ID：200907083914362221   Nikkaji number：J1.514.073I

(2S)-2β-Isopropyl-3-(pivaloyloxymethyl)-5-benzyl-6-oxo-3,6-dihydro-2H-1,4-oxazine-3α-carbonitrile

(2S)-2β-イソプロピル-3-(ピバロイルオキシメチル)-5-ベンジル-6-オキソ-3,6-ジヒドロ-2H-1,4-オキサジン-3α-カルボニトリル
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： C21H26N2O4
Molecular formula furigana： C21-H26-N2-O4
Molecular weight： 370.449
InChI： InChI=1S/C21H26N2O4/c1-14(2)17-21(12-22,13-26-19(25)20(3,4)5)23-16(18(24)27-17)11-15-9-7-6-8-10-15/h6-10,14,17H,11,13H2,1-5H3/t17-,21+/m0/s1
InChI key： NQNOHJNVQDEUFG-LAUBAEHRSA-N
SMILES： CC(C)[C@@H]1OC(=O)C(=N[C@@]1(COC(=O)C(C)(C)C)C#N)Cc1ccccc1
Systematic name  (3)：
  • (2S)-2β-イソプロピル-3-(ピバロイルオキシメチル)-5-ベンジル-6-オキソ-3,6-ジヒドロ-2H-1,4-オキサジン-3α-カルボニトリル
  • [(2S,3R)-5-ベンジル-3-シアノ-6-オキソ-2-(プロパン-2-イル)-3,6-ジヒドロ-2H-1,4-オキサジン-3-イル]メチル 2,2-ジメチルプロパノアート
  • [(2S,3R)-5-benzyl-3-cyano-6-oxo-2-(propan-2-yl)-3,6-dihydro-2H-1,4-oxazin-3-yl]methyl 2,2-dimethylpropanoate
Other name (1)：
  • (2S)-2β-Isopropyl-3-(pivaloyloxymethyl)-5-benzyl-6-oxo-3,6-dihydro-2H-1,4-oxazine-3α-carbonitrile
Thsaurus map：
Thesaurus Map

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