Chem
J-GLOBAL ID：200907059505421528   Nikkaji number：J1.984.046H

2-(Hydroxymethyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-3-carboxylic acid benzyl ester

2-(ヒドロキシメチル)-7,8-ジメトキシ-2,3,4,5-テトラヒドロ-1H-3-ベンゾアゼピン-3-カルボン酸ベンジル
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： C21H25NO5
Molecular formula furigana： C21-H25-N-O5
Molecular weight： 371.433
InChI： InChI=1S/C21H25NO5/c1-25-19-11-16-8-9-22(18(13-23)10-17(16)12-20(19)26-2)21(24)27-14-15-6-4-3-5-7-15/h3-7,11-12,18,23H,8-10,13-14H2,1-2H3
InChI key： GSWDFCOEXQSEFG-UHFFFAOYSA-N
SMILES： COc1cc2CCN(C(CO)Cc2cc1OC)C(=O)OCc1ccccc1
Systematic name  (3)：
  • 2-(ヒドロキシメチル)-7,8-ジメトキシ-2,3,4,5-テトラヒドロ-1H-3-ベンゾアゼピン-3-カルボン酸ベンジル
  • ベンジル 2-(ヒドロキシメチル)-7,8-ジメトキシ-2,3,4,5-テトラヒドロ-1H-3-ベンゾアゼピン-3-カルボキシラート
  • benzyl 2-(hydroxymethyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-3-carboxylate
Other name (1)：
  • 2-(Hydroxymethyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-3-carboxylic acid benzyl ester
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