Chem
J-GLOBAL ID:200907024103937813   Nikkaji number:J1.324.402B

2-Methoxy-N-[(9S)-cinchonan-9-yl]benzamide

2-メトキシ-N-[(9S)-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: C27H29N3O2
Molecular formula furigana: C27-H29-N3-O2
Molecular weight: 427.548
InChI: InChI=1S/C27H29N3O2/c1-3-18-17-30-15-13-19(18)16-24(30)26(21-12-14-28-23-10-6-4-8-20(21)23)29-27(31)22-9-5-7-11-25(22)32-2/h3-12,14,18-19,24,26H,1,13,15-17H2,2H3,(H,29,31)/t18-,19-,24+,26-/m0/s1
InChI key: YVXDJFTVKSVNNS-LATDSGLCSA-N
SMILES: COc1ccccc1C(=O)N[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccccc12
Systematic name  (3):
  • 2-メトキシ-N-[(9S)-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](キノリン-4-イル)メチル]-2-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](quinolin-4-yl)methyl]-2-methoxybenzamide
Other name (1):
  • 2-Methoxy-N-[(9S)-cinchonan-9-yl]benzamide
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