Chem
J-GLOBAL ID：200907000677372567   Nikkaji number：J2.413.796A

5-(Hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepine-1,3-dicarboxylic acid 1-tert-butyl 3-methyl ester

5-(ヒドロキシメチル)-2,3,4,7-テトラヒドロ-1H-アゼピン-1,3-ジカルボン酸1-tert-ブチル3-メチル
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： C14H23NO5
Molecular formula furigana： C14-H23-N-O5
Molecular weight： 285.340
InChI： InChI=1S/C14H23NO5/c1-14(2,3)20-13(18)15-6-5-10(9-16)7-11(8-15)12(17)19-4/h5,11,16H,6-9H2,1-4H3
InChI key： HUYIVYLTJLFUGA-UHFFFAOYSA-N
SMILES： COC(=O)C1CN(CC=C(CO)C1)C(=O)OC(C)(C)C
Systematic name  (3)：
  • 5-(ヒドロキシメチル)-2,3,4,7-テトラヒドロ-1H-アゼピン-1,3-ジカルボン酸1-tert-ブチル3-メチル
  • 1-tert-ブチル 3-メチル 5-(ヒドロキシメチル)-2,3,4,7-テトラヒドロ-1H-アゼピン-1,3-ジカルボキシラート
  • 1-tert-butyl 3-methyl 5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepine-1,3-dicarboxylate
Other name (1)：
  • 5-(Hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepine-1,3-dicarboxylic acid 1-tert-butyl 3-methyl ester
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