Chem
J-GLOBAL ID：200907023152046464   Nikkaji number：J2.012.299D

N-[(9R)-Cinchonan-9-yl]-4-methoxybenzamide

N-[(9R)-シンコナン-9-イル]-4-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： C27H29N3O2
Molecular formula furigana： C27-H29-N3-O2
Molecular weight： 427.548
InChI： InChI=1S/C27H29N3O2/c1-3-18-17-30-15-13-20(18)16-25(30)26(23-12-14-28-24-7-5-4-6-22(23)24)29-27(31)19-8-10-21(32-2)11-9-19/h3-12,14,18,20,25-26H,1,13,15-17H2,2H3,(H,29,31)/t18-,20-,25+,26+/m0/s1
InChI key： ICTBQDFTPFQMHM-TYTZFVCUSA-N
SMILES： COc1ccc(cc1)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]-4-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]-4-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]-4-methoxybenzamide
Other name (1)：
  • N-[(9R)-Cinchonan-9-yl]-4-methoxybenzamide
Thsaurus map：
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