Chem
J-GLOBAL ID：200907099521748954   Nikkaji number：J1.324.408A

N-[(9S)-Cinchonan-9-yl]-2-(methoxymethyl)benzamide

N-[(9S)-シンコナン-9-イル]-2-(メトキシメチル)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： C28H31N3O2
Molecular formula furigana： C28-H31-N3-O2
Molecular weight： 441.575
InChI： InChI=1S/C28H31N3O2/c1-3-19-17-31-15-13-20(19)16-26(31)27(24-12-14-29-25-11-7-6-10-23(24)25)30-28(32)22-9-5-4-8-21(22)18-33-2/h3-12,14,19-20,26-27H,1,13,15-18H2,2H3,(H,30,32)/t19-,20-,26+,27-/m0/s1
InChI key： KHVFRZIAJPKFHE-BASPBRSGSA-N
SMILES： COCc1ccccc1C(=O)N[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccccc12
Systematic name  (3)：
  • N-[(9S)-シンコナン-9-イル]-2-(メトキシメチル)ベンズアミド
  • N-[(S)-[(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]-2-(メトキシメチル)ベンズアミド
  • N-[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methyl]-2-(methoxymethyl)benzamide
Other name (1)：
  • N-[(9S)-Cinchonan-9-yl]-2-(methoxymethyl)benzamide
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