Chem
J-GLOBAL ID:200907049653123417   Nikkaji number:J1.834.418A

7,7′-Ethylenebis[3-methyl-2,4-bis(6-methyl-2-pyridyl)-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid dimethyl] ester

7,7′-エチレンビス[3-メチル-2,4-ビス(6-メチル-2-ピリジル)-9-オキソ-3,7-ジアザビシクロ[3.3.1]ノナン-1,5-ジカルボン酸ジメチル]
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: C50H58N8O10
Molecular formula furigana: C50-H58-N8-O10
Molecular weight: 931.060
InChI: InChI=1S/C50H58N8O10/c1-29-15-11-19-33(51-29)37-47(43(61)65-7)25-57(26-48(41(47)59,44(62)66-8)38(55(37)5)34-20-12-16-30(2)52-34)23-24-58-27-49(45(63)67-9)39(35-21-13-17-31(3)53-35)56(6)40(36-22-14-18-32(4)54-36)50(28-58,42(49)60)46(64)68-10/h11-22,37-40H,23-28H2,1-10H3
InChI key: XVFKOTDZAMNXDE-UHFFFAOYSA-N
SMILES: COC(=O)C12CN(CCN3CC4(C(N(C)C(c5cccc(C)n5)C(C3)(C(=O)OC)C4=O)c3cccc(C)n3)C(=O)OC)CC(C(N(C)C1c1cccc(C)n1)c1cccc(C)n1)(C(=O)OC)C2=O
Systematic name  (3):
  • 7,7′-エチレンビス[3-メチル-2,4-ビス(6-メチル-2-ピリジル)-9-オキソ-3,7-ジアザビシクロ[3.3.1]ノナン-1,5-ジカルボン酸ジメチル]
  • 1,5-ジメチル 7-{2-[1,5-ビス(メトキシカルボニル)-7-メチル-6,8-ビス(6-メチルピリジン-2-イル)-9-オキソ-3,7-ジアザビシクロ[3.3.1]ノナン-3-イル]エチル}-3-メチル-2,4-ビス(6-メチルピリジン-2-イル)-9-オキソ-3,7-ジアザビシクロ[3.3.1]ノナン-1,5-ジカルボキシラート
  • 1,5-dimethyl 7-{2-[1,5-bis(methoxycarbonyl)-7-methyl-6,8-bis(6-methylpyridin-2-yl)-9-oxo-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl}-3-methyl-2,4-bis(6-methylpyridin-2-yl)-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate
Other name (1):
  • 7,7′-Ethylenebis[3-methyl-2,4-bis(6-methyl-2-pyridyl)-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid dimethyl] ester
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