Chem
J-GLOBAL ID:200907049901639069   Nikkaji number:J2.136.732J

(3R)-3β-(1,3-Benzodioxole-5-yl)-4β-(3-oxo-3-piperidino-1-propenyl)-5α-pentyl-6β-(piperidinocarbonyl)-1-cyclohexene

(3R)-3β-(1,3-ベンゾジオキソール-5-イル)-4β-(3-オキソ-3-ピペリジノ-1-プロペニル)-5α-ペンチル-6β-(ピペリジノカルボニル)-1-シクロヘキセン
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: C32H44N2O4
Molecular formula furigana: C32-H44-N2-O4
Molecular weight: 520.714
InChI: InChI=1S/C32H44N2O4/c1-2-3-6-11-26-27(15-17-31(35)33-18-7-4-8-19-33)25(24-12-16-29-30(22-24)38-23-37-29)13-14-28(26)32(36)34-20-9-5-10-21-34/h12-17,22,25-28H,2-11,18-21,23H2,1H3/t25-,26-,27+,28-/m0/s1
InChI key: PGBYRHUXIZJVKO-BPXGVECKSA-N
SMILES: CCCCC[C@H]1[C@H](C=CC(=O)N2CCCCC2)[C@@H](C=C[C@@H]1C(=O)N1CCCCC1)c1ccc2OCOc2c1
Systematic name  (3):
  • (3R)-3β-(1,3-ベンゾジオキソール-5-イル)-4β-(3-オキソ-3-ピペリジノ-1-プロペニル)-5α-ペンチル-6β-(ピペリジノカルボニル)-1-シクロヘキセン
  • 3-[(1S,2R,5S,6S)-2-(2H-1,3-ベンゾジオキソール-5-イル)-6-ペンチル-5-(ピペリジン-1-カルボニル)シクロヘキサ-3-エン-1-イル]-1-(ピペリジン-1-イル)プロパ-2-エン-1-オン
  • 3-[(1S,2R,5S,6S)-2-(2H-1,3-benzodioxol-5-yl)-6-pentyl-5-(piperidine-1-carbonyl)cyclohex-3-en-1-yl]-1-(piperidin-1-yl)prop-2-en-1-one
Other name (1):
  • (3R)-3β-(1,3-Benzodioxole-5-yl)-4β-(3-oxo-3-piperidino-1-propenyl)-5α-pentyl-6β-(piperidinocarbonyl)-1-cyclohexene
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