Chem
J-GLOBAL ID：201507046788151427   Nikkaji number：J3.339.747J

4-[3α-(2-Pyridinylcarbonylamino)cyclohexane-1α-yl]benzoic acid ethyl ester

エチル 4-[(1S,3R)-3-(ピリジン-2-アミド)シクロヘキシル]ベンゾアート
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： C21H24N2O3
Molecular formula furigana： C21-H24-N2-O3
Molecular weight： 352.434
InChI： InChI=1S/C21H24N2O3/c1-2-26-21(25)16-11-9-15(10-12-16)17-6-5-7-18(14-17)23-20(24)19-8-3-4-13-22-19/h3-4,8-13,17-18H,2,5-7,14H2,1H3,(H,23,24)/t17-,18+/m0/s1
InChI key： SMOYXGRCIKKGIV-ZWKOTPCHSA-N
SMILES： CCOC(=O)c1ccc(cc1)[C@H]1CCC[C@H](C1)NC(=O)c1ccccn1
Systematic name  (3)：
  • 4-[3α-(2-ピリジニルカルボニルアミノ)シクロヘキサン-1α-イル]安息香酸エチル
  • エチル 4-[(1S,3R)-3-(ピリジン-2-アミド)シクロヘキシル]ベンゾアート
  • ethyl 4-[(1S,3R)-3-(pyridine-2-amido)cyclohexyl]benzoate
Other name (1)：
  • 4-[3α-(2-Pyridinylcarbonylamino)cyclohexane-1α-yl]benzoic acid ethyl ester
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