Chem
J-GLOBAL ID:200907059854104360
Nikkaji number:J1.524.345G
(1R,2S,3S,5S)-8-[(3 H)Methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
(1R,2S,3S,5S)-8-[(3 H)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
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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:
C16 H19 [3 H]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-[(3 H)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-(3 H1 )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-(3 H1 )methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Other name (1):
(1R,2S,3S,5S)-8-[(3 H)Methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
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