Chem
J-GLOBAL ID:200907009052257422   Nikkaji number:J1.324.406E

N-[(9S)-Cinchonan-9-yl]-2-butoxybenzamide

N-[(9S)-シンコナン-9-イル]-2-ブ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: C30H35N3O2
Molecular formula furigana: C30-H35-N3-O2
Molecular weight: 469.629
InChI: InChI=1S/C30H35N3O2/c1-3-5-18-35-28-13-9-7-11-25(28)30(34)32-29(24-14-16-31-26-12-8-6-10-23(24)26)27-19-22-15-17-33(27)20-21(22)4-2/h4,6-14,16,21-22,27,29H,2-3,5,15,17-20H2,1H3,(H,32,34)/t21-,22-,27+,29-/m0/s1
InChI key: HCNKZYBMKZAYSZ-LFHWOFJDSA-N
SMILES: CCCCOc1ccccc1C(=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-ブトキシベンズアミド
  • 2-ブトキシ-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]ベンズアミド
  • 2-butoxy-N-[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methyl]benzamide
Other name (1):
  • N-[(9S)-Cinchonan-9-yl]-2-butoxybenzamide
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