Chem
J-GLOBAL ID:200907035142426097
Nikkaji number:J1.642.185E
(1β,5β,8-anti)-3β-(4-Iodophenyl)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
メチル (1R,3S,5S)-8-(3-フルオロプロピル)-3-(4-ヨードフェニル)-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:
C18 H23 FINO2
Molecular formula furigana:
C18-H23-F-I-N-O2
Molecular weight:
431.290
InChI:
InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14-,15+,16+,17?/m0/s1
InChI key:
HXWLAJVUJSVENX-MYAYHUAGSA-N
SMILES:
COC(=O)C1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)N2CCCF
Systematic name (3):
(1β,5β,8-anti)-3β-(4-ヨードフェニル)-8-(3-フルオロプロピル)-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)-8-(3-フルオロプロピル)-3-(4-ヨードフェニル)-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)-8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Other name (1):
(1β,5β,8-anti)-3β-(4-Iodophenyl)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
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