Chem
J-GLOBAL ID:200907027381817437   Nikkaji number:J2.722.970K

10b,8-[Oxy(methoxycarbonylimino)]-9-methyl-1,2,3,3a,4,5,6,6aα,8,10a,10bα-undecahydro-7-oxacyclohepta[de]naphthalene-3aα-carbonitrile

メチル (8S,12R,13R)-8-シアノ-2-メチル-14,16-ジオキサ-15-アザテトラシクロ[10.3.1.04,13.08,13]ヘキサデカ-2-エン-15-カルボキシラート
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: C17H22N2O4
Molecular formula furigana: C17-H22-N2-O4
Molecular weight: 318.373
InChI: InChI=1S/C17H22N2O4/c1-11-9-12-5-3-7-16(10-18)8-4-6-13-17(12,16)23-19(14(11)22-13)15(20)21-2/h9,12-14H,3-8H2,1-2H3/t12?,13-,14?,16+,17+/m1/s1
InChI key: OVBUQPMBJGKRPI-RNTLWRPRSA-N
SMILES: COC(=O)N1O[C@@]23[C@H]4CCC[C@@]2(CCCC3C=C(C)C1O4)C#N
Systematic name  (3):
  • 10b,8-[オキシ(メトキシカルボニルイミノ)]-9-メチル-1,2,3,3a,4,5,6,6aα,8,10a,10bα-ウンデカヒドロ-7-オキサシクロヘプタ[de]ナフタレン-3aα-カルボニトリル
  • メチル (8S,12R,13R)-8-シアノ-2-メチル-14,16-ジオキサ-15-アザテトラシクロ[10.3.1.04,13.08,13]ヘキサデカ-2-エン-15-カルボキシラート
  • methyl (8S,12R,13R)-8-cyano-2-methyl-14,16-dioxa-15-azatetracyclo[10.3.1.04,13.08,13]hexadec-2-ene-15-carboxylate
Other name (1):
  • 10b,8-[Oxy(methoxycarbonylimino)]-9-methyl-1,2,3,3a,4,5,6,6aα,8,10a,10bα-undecahydro-7-oxacyclohepta[de]naphthalene-3aα-carbonitrile
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