Chem
J-GLOBAL ID:200907048876422223   Nikkaji number:J2.250.182H

(11S)-1′-Benzyl-3-imino-1,9β-ethano-9,9aα-dihydrospiro[1H-imidazo[1,2-a]indole-2(3H),4′-piperidine]-11-carboxylic acid methyl ester

(11S)-1′-ベンジル-3-イミノ-1,9β-エタノ-9,9aα-ジヒドロスピロ[1H-イミダゾ[1,2-a]インドール-2(3H),4′-ピペリジン]-11-カルボン酸メチル
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: C25H28N4O2
Molecular formula furigana: C25-H28-N4-O2
Molecular weight: 416.525
InChI: InChI=1S/C25H28N4O2/c1-31-23(30)21-15-19-18-9-5-6-10-20(18)28-22(19)29(21)25(24(28)26)11-13-27(14-12-25)16-17-7-3-2-4-8-17/h2-10,19,21-22,26H,11-16H2,1H3/t19-,21+,22-/m1/s1
InChI key: YLBSOZCLJXRCSX-BAGYTPMASA-N
SMILES: COC(=O)[C@@H]1C[C@H]2[C@H]3N1C1(CCN(Cc4ccccc4)CC1)C(=N)N3c1ccccc21
Systematic name  (3):
  • (11S)-1′-ベンジル-3-イミノ-1,9β-エタノ-9,9aα-ジヒドロスピロ[1H-イミダゾ[1,2-a]インドール-2(3H),4′-ピペリジン]-11-カルボン酸メチル
  • メチル (1'R,12'S,14'S)-1-ベンジル-9'-イミノ-8',11'-ジアザスピロ[ピペリジン-4,10'-テトラシクロ[6.5.1.02,7.011,14]テトラデカン]-2',4',6'-トリエン-12'-カルボキシラート
  • methyl (1'R,12'S,14'S)-1-benzyl-9'-imino-8',11'-diazaspiro[piperidine-4,10'-tetracyclo[6.5.1.02,7.011,14]tetradecane]-2',4',6'-triene-12'-carboxylate
Other name (1):
  • (11S)-1′-Benzyl-3-imino-1,9β-ethano-9,9aα-dihydrospiro[1H-imidazo[1,2-a]indole-2(3H),4′-piperidine]-11-carboxylic acid methyl ester
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