Chem
J-GLOBAL ID:201107022581216361
Nikkaji number:J2.896.191J
(1R,4S)-6α-Formyl-7-azabicyclo[2.2.2]octa-2-ene-7-carboxylic acid benzyl ester
(1R,4S)-6α-ホルミル-7-アザビシクロ[2.2.2]オクタ-2-エン-7-カルボン酸ベンジル
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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 H17 NO3
Molecular formula furigana:
C16-H17-N-O3
Molecular weight:
271.316
InChI:
InChI=1S/C16H17NO3/c18-10-14-8-13-6-7-15(14)17(9-13)16(19)20-11-12-4-2-1-3-5-12/h1-7,10,13-15H,8-9,11H2/t13-,14-,15-/m1/s1
InChI key:
KJHOYXJBNKKQHH-RBSFLKMASA-N
SMILES:
O=C[C@H]1C[C@@H]2CN([C@@H]1C=C2)C(=O)OCc1ccccc1
Systematic name (4):
(1R,4S)-6α-ホルミル-7-アザビシクロ[2.2.2]オクタ-2-エン-7-カルボン酸ベンジル
(1S,4R)-3α-ホルミル-8-アザビシクロ[2.2.2]オクタン-5-エン-8-カルボン酸ベンジル
ベンジル (1R,4S,7S)-7-ホルミル-2-アザビシクロ[2.2.2]オクタ-5-エン-2-カルボキシラート
benzyl (1R,4S,7S)-7-formyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
Other name (2):
(1R,4S)-6α-Formyl-7-azabicyclo[2.2.2]octa-2-ene-7-carboxylic acid benzyl ester
(1S,4R)-3α-Formyl-8-azabicyclo[2.2.2]octane-5-ene-8-carboxylic acid benzyl ester
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