Chem
J-GLOBAL ID:200907065658460239   Nikkaji number:J1.324.397B

3,5-Di-tert-butyl-N-[(9S)-cinchonan-9-yl]benzamide

3,5-ジ-tert-ブチル-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: C34H43N3O
Molecular formula furigana: C34-H43-N3-O
Molecular weight: 509.738
InChI: InChI=1S/C34H43N3O/c1-8-22-21-37-16-14-23(22)19-30(37)31(28-13-15-35-29-12-10-9-11-27(28)29)36-32(38)24-17-25(33(2,3)4)20-26(18-24)34(5,6)7/h8-13,15,17-18,20,22-23,30-31H,1,14,16,19,21H2,2-7H3,(H,36,38)/t22-,23-,30+,31-/m0/s1
InChI key: GUFVZCPOTLHHCO-HKWKKJRXSA-N
SMILES: CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)N[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccccc12
Systematic name  (3):
  • 3,5-ジ-tert-ブチル-N-[(9S)-シンコナン-9-イル]ベンズアミド
  • 3,5-ジ-tert-ブチル-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
  • 3,5-di-tert-butyl-N-[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methyl]benzamide
Other name (1):
  • 3,5-Di-tert-butyl-N-[(9S)-cinchonan-9-yl]benzamide
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