Chem
J-GLOBAL ID:200907059854104360   Nikkaji number:J1.524.345G

(1R,2S,3S,5S)-8-[(3H)Methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester

(1R,2S,3S,5S)-8-[(3H)メチル]-3-(4-フルオロフェニル)-8-アザビシクロ[3.2.1]オクタン-2-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: C16H19[3H]FNO2
Molecular formula furigana: C16-H20-F-N-O2
Molecular weight: 279.347
InChI: InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1/i1T
InChI key: QUSLQENMLDRCTO-HEVOQWNKSA-N
SMILES: C([3H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(F)cc1)C(=O)OC
Systematic name  (3):
  • (1R,2S,3S,5S)-8-[(3H)メチル]-3-(4-フルオロフェニル)-8-アザビシクロ[3.2.1]オクタン-2-カルボン酸メチル
  • メチル (1R,2S,3S,5S)-3-(4-フルオロフェニル)-8-(3H1)メチル-8-アザビシクロ[3.2.1]オクタン-2-カルボキシラート
  • methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-(3H1)methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Other name (1):
  • (1R,2S,3S,5S)-8-[(3H)Methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
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