Chem
J-GLOBAL ID:200907072783323282
Nikkaji number:J2.643.152B
[(1α,5S,2Z)-5-Methyl-7α-(methoxycarbonyl)-8-benzyl-8-azabicyclo[3.2.1]octane-2-ylidene]acetic acid ethyl ester
[(1α,5S,2Z)-5-メチル-7α-(メトキシカルボニル)-8-ベンジル-8-アザビシクロ[3.2.1]オクタン-2-イリデン]酢酸エチル
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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:
C21 H27 NO4
Molecular formula furigana:
C21-H27-N-O4
Molecular weight:
357.450
InChI:
InChI=1S/C21H27NO4/c1-4-26-18(23)12-16-10-11-21(2)13-17(20(24)25-3)19(16)22(21)14-15-8-6-5-7-9-15/h5-9,12,17,19H,4,10-11,13-14H2,1-3H3/b16-12-/t17-,19+,21-/m0/s1
InChI key:
GDZXXEXUGALKFJ-SGYBJPAASA-N
SMILES:
CCOC(=O)/C=C\1/CC[C@@]2(C)C[C@@H]([C@@H]1N2Cc1ccccc1)C(=O)OC
Systematic name (3):
[(1α,5S,2Z)-5-メチル-7α-(メトキシカルボニル)-8-ベンジル-8-アザビシクロ[3.2.1]オクタン-2-イリデン]酢酸エチル
メチル (1S,4Z,5S,6S)-8-ベンジル-4-(2-エトキシ-2-オキソエチリデン)-1-メチル-8-アザビシクロ[3.2.1]オクタン-6-カルボキシラート
methyl (1S,4Z,5S,6S)-8-benzyl-4-(2-ethoxy-2-oxoethylidene)-1-methyl-8-azabicyclo[3.2.1]octane-6-carboxylate
Other name (1):
[(1α,5S,2Z)-5-Methyl-7α-(methoxycarbonyl)-8-benzyl-8-azabicyclo[3.2.1]octane-2-ylidene]acetic acid ethyl ester
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