Chem
J-GLOBAL ID:200907035857218920
Nikkaji number:J1.642.188J
(1β,5β,8-anti)-3β-(4-Iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
メチル (1R,3S,5S)-3-(4-ヨードフェニル)-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
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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 H20 INO2
Molecular formula furigana:
C16-H20-I-N-O2
Molecular weight:
385.245
InChI:
InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15?/m0/s1
InChI key:
SIIICDNNMDMWCI-DWHDPIQZSA-N
SMILES:
COC(=O)C1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)N2C
Systematic name (3):
(1β,5β,8-anti)-3β-(4-ヨードフェニル)-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,3S,5S)-3-(4-ヨードフェニル)-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,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Other name (1):
(1β,5β,8-anti)-3β-(4-Iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
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