Chem
J-GLOBAL ID：201207039416449650   Nikkaji number：J3.028.964A

3,7-Bis[3,4-diethyl-5-(ethoxycarbonyl)-1H-pyrrole-2-ylmethyl]-4,8-ethano-2,4,6,8-tetrahydrobenzo[1,2-c:4,5-c′]dipyrrole-1,5-dicarboxylic acid diethyl ester

3,7-ビス[3,4-ジエチル-5-(エトキシカルボニル)-1H-ピロール-2-イルメチル]-4,8-エタノ-2,4,6,8-テトラヒドロベンゾ[1,2-c:4,5-c′]ジピロール-1,5-ジカルボン酸ジエチル
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： C42H54N4O8
Molecular formula furigana： C42-H54-N4-O8
Molecular weight： 742.914
InChI： InChI=1S/C42H54N4O8/c1-9-21-23(11-3)35(39(47)51-13-5)43-27(21)19-29-31-25-17-18-26(33(31)37(45-29)41(49)53-15-7)32-30(46-38(34(25)32)42(50)54-16-8)20-28-22(10-2)24(12-4)36(44-28)40(48)52-14-6/h25-26,43-46H,9-20H2,1-8H3
InChI key： IAANWJKLOZWHAX-UHFFFAOYSA-N
SMILES： CCOC(=O)c1[nH]c(Cc2[nH]c(C(=O)OCC)c3C4CCC(c23)c2c([nH]c(Cc3[nH]c(C(=O)OCC)c(CC)c3CC)c42)C(=O)OCC)c(CC)c1CC
Systematic name  (3)：
  • 3,7-ビス[3,4-ジエチル-5-(エトキシカルボニル)-1H-ピロール-2-イルメチル]-4,8-エタノ-2,4,6,8-テトラヒドロベンゾ[1,2-c:4,5-c′]ジピロール-1,5-ジカルボン酸ジエチル
  • 3,9-ジエチル 5,11-ビス({[5-(エトキシカルボニル)-3,4-ジエチル-1H-ピロール-2-イル]メチル})-4,10-ジアザテトラシクロ[5.5.2.02,6.08,12]テトラデカ-2,5,8,11-テトラエン-3,9-ジカルボキシラート
  • 3,9-diethyl 5,11-bis({[5-(ethoxycarbonyl)-3,4-diethyl-1H-pyrrol-2-yl]methyl})-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,9-dicarboxylate
Other name (1)：
  • 3,7-Bis[3,4-diethyl-5-(ethoxycarbonyl)-1H-pyrrole-2-ylmethyl]-4,8-ethano-2,4,6,8-tetrahydrobenzo[1,2-c:4,5-c′]dipyrrole-1,5-dicarboxylic acid diethyl ester
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