Chem
J-GLOBAL ID：200907088875761204   Nikkaji number：J1.324.401D

3-Methoxy-N-[(9S)-6′-methoxycinchonan-9-yl]benzamide

3-メトキシ-N-[(9S)-6′-メトキシシンコナン-9-イル]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： C28H31N3O3
Molecular formula furigana： C28-H31-N3-O3
Molecular weight： 457.574
InChI： InChI=1S/C28H31N3O3/c1-4-18-17-31-13-11-19(18)15-26(31)27(30-28(32)20-6-5-7-21(14-20)33-2)23-10-12-29-25-9-8-22(34-3)16-24(23)25/h4-10,12,14,16,18-19,26-27H,1,11,13,15,17H2,2-3H3,(H,30,32)/t18-,19-,26+,27-/m0/s1
InChI key： XVLPMFLTUKATIR-QJTMEEEXSA-N
SMILES： COc1cccc(c1)C(=O)N[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccc(OC)cc12
Systematic name  (3)：
  • 3-メトキシ-N-[(9S)-6′-メトキシシンコナン-9-イル]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](6-メトキシキノリン-4-イル)メチル]-3-メ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]-3-methoxybenzamide
Other name (1)：
  • 3-Methoxy-N-[(9S)-6′-methoxycinchonan-9-yl]benzamide
Thsaurus map：
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