Chem
J-GLOBAL ID：200907084769157327   Nikkaji number：J2.111.508H

4-Bromobenzoic acid 2-[(4R,4aα,7aβ)-1-oxooctahydro-1H-cyclopenta[c]pyridine-4α-yl]ethyl ester

4-ブロモ安息香酸2-[(4R,4aα,7aβ)-1-オキソオクタヒドロ-1H-シクロペンタ[c]ピリジン-4α-イル]エチル
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： C17H20BrNO3
Molecular formula furigana： C17-H20-BR-N-O3
Molecular weight： 366.255
InChI： InChI=1S/C17H20BrNO3/c18-13-6-4-11(5-7-13)17(21)22-9-8-12-10-19-16(20)15-3-1-2-14(12)15/h4-7,12,14-15H,1-3,8-10H2,(H,19,20)/t12-,14+,15-/m0/s1
InChI key： WCEPNULMTXNHRT-CFVMTHIKSA-N
SMILES： Brc1ccc(cc1)C(=O)OCC[C@H]1CNC(=O)[C@H]2CCC[C@H]12
Systematic name  (3)：
  • 4-ブロモ安息香酸2-[(4R,4aα,7aβ)-1-オキソオクタヒドロ-1H-シクロペンタ[c]ピリジン-4α-イル]エチル
  • 2-[(4R,4aR,7aS)-1-オキソ-オクタヒドロ-1H-シクロペンタ[c]ピリジン-4-イル]エチル 4-ブロモベンゾアート
  • 2-[(4R,4aR,7aS)-1-oxo-octahydro-1H-cyclopenta[c]pyridin-4-yl]ethyl 4-bromobenzoate
Other name (1)：
  • 4-Bromobenzoic acid 2-[(4R,4aα,7aβ)-1-oxooctahydro-1H-cyclopenta[c]pyridine-4α-yl]ethyl ester
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