Chem
J-GLOBAL ID:200907018103133374   Nikkaji number:J618.902D

3-[2,2-Bis(methoxycarbonyl)ethyl]-4-[(E)-3-methyl-1-butenyl]-1H-indole-1-carboxylic acid ethyl ester

3-[2,2-ビス(メトキシカルボニル)エチル]-4-[(E)-3-メチル-1-ブテニル]-1H-インドール-1-カルボン酸エチル
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: C22H27NO6
Molecular formula furigana: C22-H27-N-O6
Molecular weight: 401.459
InChI: InChI=1S/C22H27NO6/c1-6-29-22(26)23-13-16(12-17(20(24)27-4)21(25)28-5)19-15(11-10-14(2)3)8-7-9-18(19)23/h7-11,13-14,17H,6,12H2,1-5H3/b11-10+
InChI key: KQCYYTPXGKYORF-ZHACJKMWSA-N
SMILES: CCOC(=O)n1cc(CC(C(=O)OC)C(=O)OC)c2c(/C=C/C(C)C)cccc12
Systematic name  (3):
  • 3-[2,2-ビス(メトキシカルボニル)エチル]-4-[(E)-3-メチル-1-ブテニル]-1H-インドール-1-カルボン酸エチル
  • 1,3-ジメチル 2-{[1-(エトキシカルボニル)-4-[(1E)-3-メチルブタ-1-エン-1-イル]-1H-インドール-3-イル]メチル}プロパンジオアート
  • 1,3-dimethyl 2-{[1-(ethoxycarbonyl)-4-[(1E)-3-methylbut-1-en-1-yl]-1H-indol-3-yl]methyl}propanedioate
Other name (1):
  • 3-[2,2-Bis(methoxycarbonyl)ethyl]-4-[(E)-3-methyl-1-butenyl]-1H-indole-1-carboxylic acid ethyl ester
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