Chem
J-GLOBAL ID:200907073836432727
Nikkaji number:J1.229.520K
(1R,2R,3S,5S)-3-[(2,3,4,5,6-2 H5 )Benzoyloxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
(1R,2R,3S,5S)-3-[(2,3,4,5,6-2 H5 )ベンゾイルオキシ]-8-メチル-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:
C17 H16 [2 H]5 NO4
Molecular formula furigana:
C17-H21-N-O4
Molecular weight:
308.389
InChI:
InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1/i3D,4D,5D,6D,7D
InChI key:
ZPUCINDJVBIVPJ-JBBBWHHDSA-N
SMILES:
c1([2H])c([2H])c([2H])c(c([2H])c1[2H])C(=O)O[C@H]1C[C@@H]2CC[C@H]([C@H]1C(=O)OC)N2C
Systematic name (3):
(1R,2R,3S,5S)-3-[(2,3,4,5,6-2 H5 )ベンゾイルオキシ]-8-メチル-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,2R,3S,5S)-3-[(2,3,4,5,6-2 H5 )ベンゾイルオキシ]-8-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,2R,3S,5S)-3-[(2,3,4,5,6-2 H5 )benzoyloxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Other name (1):
(1R,2R,3S,5S)-3-[(2,3,4,5,6-2 H5 )Benzoyloxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
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