Chem
J-GLOBAL ID：200907032807359656   Nikkaji number：J1.324.405G

N-[(9S)-6′-Methoxycinchonan-9-yl]-2-ethoxybenzamide

N-[(9S)-6′-メトキシシンコナン-9-イル]-2-エ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： C29H33N3O3
Molecular formula furigana： C29-H33-N3-O3
Molecular weight： 471.601
InChI： InChI=1S/C29H33N3O3/c1-4-19-18-32-15-13-20(19)16-26(32)28(31-29(33)23-8-6-7-9-27(23)35-5-2)22-12-14-30-25-11-10-21(34-3)17-24(22)25/h4,6-12,14,17,19-20,26,28H,1,5,13,15-16,18H2,2-3H3,(H,31,33)/t19-,20-,26+,28-/m0/s1
InChI key： BTZRZSDROFDSES-VXBASUNCSA-N
SMILES： CCOc1ccccc1C(=O)N[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccc(OC)cc12
Systematic name  (3)：
  • N-[(9S)-6′-メトキシシンコナン-9-イル]-2-エトキシベンズアミド
  • 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](6-メトキシキノリン-4-イル)メチル]-2-エトキシベンズアミド
  • N-[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl]-2-ethoxybenzamide
Other name (1)：
  • N-[(9S)-6′-Methoxycinchonan-9-yl]-2-ethoxybenzamide
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