Chem
J-GLOBAL ID:200907049383092433   Nikkaji number:J2.040.906A

(4aS)-5β-(4-Hydroxybutyl)-3,4,4aα,5,6,10bα-hexahydro-2H-pyrano[3,2-c]quinoline-7-carbonitrile

(4aS)-5β-(4-ヒドロキシブチル)-3,4,4aα,5,6,10bα-ヘキサヒドロ-2H-ピラノ[3,2-c]キノリン-7-カルボニトリル
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: C17H22N2O2
Molecular formula furigana: C17-H22-N2-O2
Molecular weight: 286.375
InChI: InChI=1S/C17H22N2O2/c18-11-12-5-3-6-14-16(12)19-15(8-1-2-9-20)13-7-4-10-21-17(13)14/h3,5-6,13,15,17,19-20H,1-2,4,7-10H2/t13-,15+,17-/m0/s1
InChI key: KACRBJJYQOSGSK-LXZKKBNFSA-N
SMILES: OCCCC[C@H]1Nc2c(cccc2[C@H]2OCCC[C@@H]12)C#N
Systematic name  (3):
  • (4aS)-5β-(4-ヒドロキシブチル)-3,4,4aα,5,6,10bα-ヘキサヒドロ-2H-ピラノ[3,2-c]キノリン-7-カルボニトリル
  • (4aS,5R,10bS)-5-(4-ヒドロキシブチル)-2H,3H,4H,4aH,5H,6H,10bH-ピラノ[3,2-c]キノリン-7-カルボニトリル
  • (4aS,5R,10bS)-5-(4-hydroxybutyl)-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinoline-7-carbonitrile
Other name (1):
  • (4aS)-5β-(4-Hydroxybutyl)-3,4,4aα,5,6,10bα-hexahydro-2H-pyrano[3,2-c]quinoline-7-carbonitrile
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