Chem
J-GLOBAL ID:200907001766995949
Nikkaji number:J1.229.519G
(1R,2R,3S,5S)-3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid (2 H3 )methyl ester
(1R,2R,3S,5S)-3-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(2 H3 )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 H18 [2 H]3 NO4
Molecular formula furigana:
C17-H21-N-O4
Molecular weight:
306.376
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/i2D3
InChI key:
ZPUCINDJVBIVPJ-JTIQJQJFSA-N
SMILES:
C([2H])([2H])([2H])OC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C
Systematic name (3):
(1R,2R,3S,5S)-3-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(2 H3 )メチル
(2 H3 )メチル (1R,2R,3S,5S)-3-(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
(2 H3 )methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Other name (1):
(1R,2R,3S,5S)-3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid (2 H3 )methyl ester
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