Chem
J-GLOBAL ID：200907000597242174   Nikkaji number：J2.549.760K

1,2,3,6-Tetrahydro-8,9-dimethoxy-6-(4-fluorophenyl)-3-benzoazocine-5-carboxylic acid methyl ester

1,2,3,6-テトラヒドロ-8,9-ジメトキシ-6-(4-フルオロフェニル)-3-ベンゾアゾシン-5-カルボン酸メチル
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： C21H22FNO4
Molecular formula furigana： C21-H22-F-N-O4
Molecular weight： 371.408
InChI： InChI=1S/C21H22FNO4/c1-25-18-10-14-8-9-23-12-17(21(24)27-3)20(16(14)11-19(18)26-2)13-4-6-15(22)7-5-13/h4-7,10-12,20,23H,8-9H2,1-3H3
InChI key： LVAAHEHGXPIXIX-UHFFFAOYSA-N
SMILES： COC(=O)C1=CNCCc2cc(OC)c(OC)cc2C1c1ccc(F)cc1
Systematic name  (3)：
  • 1,2,3,6-テトラヒドロ-8,9-ジメトキシ-6-(4-フルオロフェニル)-3-ベンゾアゾシン-5-カルボン酸メチル
  • メチル 6-(4-フルオロフェニル)-8,9-ジメトキシ-1,2,3,6-テトラヒドロ-3-ベンゾアゾシン-5-カルボキシラート
  • methyl 6-(4-fluorophenyl)-8,9-dimethoxy-1,2,3,6-tetrahydro-3-benzazocine-5-carboxylate
Other name (1)：
  • 1,2,3,6-Tetrahydro-8,9-dimethoxy-6-(4-fluorophenyl)-3-benzoazocine-5-carboxylic acid methyl ester
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