Chem
J-GLOBAL ID:200907061705008662
Nikkaji number:J446.015D
(S)-2-Hydroxy-2-phenylpropanoic acid [(1β,4β)-1-azabicyclo[2.2.2]octan-3α-yl] ester
(3R)-1-アザビシクロ[2.2.2]オクタン-3-イル (2S)-2-ヒドロキシ-2-フェニルプロパノアート
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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 H21 NO3
Molecular formula furigana:
C16-H21-N-O3
Molecular weight:
275.348
InChI:
InChI=1S/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14-,16-/m0/s1
InChI key:
JOWTXKLQSINMKI-HOCLYGCPSA-N
SMILES:
C[C@@](O)(C(=O)O[C@H]1CN2CC[C@H]1CC2)c1ccccc1
Systematic name (3):
(S)-2-ヒドロキシ-2-フェニルプロパン酸[(1β,4β)-1-アザビシクロ[2.2.2]オクタン-3α-イル]
(3R)-1-アザビシクロ[2.2.2]オクタン-3-イル (2S)-2-ヒドロキシ-2-フェニルプロパノアート
(3R)-1-azabicyclo[2.2.2]octan-3-yl (2S)-2-hydroxy-2-phenylpropanoate
Other name (1):
(S)-2-Hydroxy-2-phenylpropanoic acid [(1β,4β)-1-azabicyclo[2.2.2]octan-3α-yl] ester
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