Chem
J-GLOBAL ID:200907050873827006   Nikkaji number:J2.742.495C

1,5,8,8bα-Tetrahydro-4H,4bβH-cyclobuta[1,2-b:3,4-b′]dipyridine-3,4aβ,7,8aβ-tetracarboxylic acid tetraethyl ester

1,5,8,8bα-テトラヒドロ-4H,4bβH-シクロブタ[1,2-b:3,4-b′]ジピリジン-3,4aβ,7,8aβ-テトラカルボン酸テトラエチル
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: C22H30N2O8
Molecular formula furigana: C22-H30-N2-O8
Molecular weight: 450.488
InChI: InChI=1S/C22H30N2O8/c1-5-29-15(25)13-9-21(19(27)31-7-3)17(23-11-13)22(20(28)32-8-4)10-14(12-24-18(21)22)16(26)30-6-2/h11-12,17-18,23-24H,5-10H2,1-4H3/t17-,18+,21-,22-/m0/s1
InChI key: VKHMCWWQFBJAOH-UDKICSLYSA-N
SMILES: CCOC(=O)C1=CN[C@H]2[C@](C1)([C@H]1NC=C(C[C@@]21C(=O)OCC)C(=O)OCC)C(=O)OCC
Systematic name  (3):
  • 1,5,8,8bα-テトラヒドロ-4H,4bβH-シクロブタ[1,2-b:3,4-b′]ジピリジン-3,4aβ,7,8aβ-テトラカルボン酸テトラエチル
  • 3,4a,7,8a-テトラエチル (4aR,4bS,8aS,8bR)-1,4,4a,4b,5,8,8a,8b-オクタヒドロ-1,5-ジアザビフェニレン-3,4a,7,8a-テトラカルボキシラート
  • 3,4a,7,8a-tetraethyl (4aR,4bS,8aS,8bR)-1,4,4a,4b,5,8,8a,8b-octahydro-1,5-diazabiphenylene-3,4a,7,8a-tetracarboxylate
Other name (1):
  • 1,5,8,8bα-Tetrahydro-4H,4bβH-cyclobuta[1,2-b:3,4-b′]dipyridine-3,4aβ,7,8aβ-tetracarboxylic acid tetraethyl ester
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