Chem
J-GLOBAL ID:200907026021349754   Nikkaji number:J2.483.125F

(4aβ,8aα)-4-Benzyl-6β-(4-phenylpiperidino)-7α-hydroxyoctahydro-2H-1,4-benzooxazine-3-one

(4aβ,8aα)-4-ベンジル-6β-(4-フェニルピペリジノ)-7α-ヒドロキシオクタヒドロ-2H-1,4-ベンゾオキサジン-3-オン
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: C26H32N2O3
Molecular formula furigana: C26-H32-N2-O3
Molecular weight: 420.553
InChI: InChI=1S/C26H32N2O3/c29-24-16-25-23(28(26(30)18-31-25)17-19-7-3-1-4-8-19)15-22(24)27-13-11-21(12-14-27)20-9-5-2-6-10-20/h1-10,21-25,29H,11-18H2/t22-,23-,24-,25-/m1/s1
InChI key: PNAXZLCUFOZYTQ-ZGFBMJKBSA-N
SMILES: O[C@@H]1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C[C@H]1N1CCC(CC1)c1ccccc1
Systematic name  (3):
  • (4aβ,8aα)-4-ベンジル-6β-(4-フェニルピペリジノ)-7α-ヒドロキシオクタヒドロ-2H-1,4-ベンゾオキサジン-3-オン
  • (4aR,6R,7R,8aR)-4-ベンジル-7-ヒドロキシ-6-(4-フェニルピペリジン-1-イル)-オクタヒドロ-2H-1,4-ベンゾオキサジン-3-オン
  • (4aR,6R,7R,8aR)-4-benzyl-7-hydroxy-6-(4-phenylpiperidin-1-yl)-octahydro-2H-1,4-benzoxazin-3-one
Other name (1):
  • (4aβ,8aα)-4-Benzyl-6β-(4-phenylpiperidino)-7α-hydroxyoctahydro-2H-1,4-benzooxazine-3-one
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