Chem
J-GLOBAL ID：200907095895777820   Nikkaji number：J2.012.302H

N-[(9R)-Cinchonan-9-yl]-3,5-dimethoxybenzamide

N-[(9R)-シンコナン-9-イル]-3,5-ジメトキシベンズアミド
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： C28H31N3O3
Molecular formula furigana： C28-H31-N3-O3
Molecular weight： 457.574
InChI： InChI=1S/C28H31N3O3/c1-4-18-17-31-12-10-19(18)15-26(31)27(24-9-11-29-25-8-6-5-7-23(24)25)30-28(32)20-13-21(33-2)16-22(14-20)34-3/h4-9,11,13-14,16,18-19,26-27H,1,10,12,15,17H2,2-3H3,(H,30,32)/t18-,19-,26+,27+/m0/s1
InChI key： RHJIDPWJMWMGHS-CPAHJZNRSA-N
SMILES： COc1cc(OC)cc(c1)C(=O)N[C@@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccccc12
Systematic name  (3)：
  • N-[(9R)-シンコナン-9-イル]-3,5-ジメトキシベンズアミド
  • N-[(R)-[(2R,4S,5R)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2-イル](キノリン-4-イル)メチル]-3,5-ジメトキシベンズアミド
  • N-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methyl]-3,5-dimethoxybenzamide
Other name (1)：
  • N-[(9R)-Cinchonan-9-yl]-3,5-dimethoxybenzamide
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