Chem
J-GLOBAL ID:200907048774693621   Nikkaji number:J2.112.857K

3-Isopropyl-8-fluoro-2,3,6,11-tetrahydro-1H-azocino[4,5-b]indole-4,5-dicarboxylic acid dimethyl ester

3-イソプロピル-8-フルオロ-2,3,6,11-テトラヒドロ-1H-アゾシノ[4,5-b]インドール-4,5-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: C20H23FN2O4
Molecular formula furigana: C20-H23-F-N2-O4
Molecular weight: 374.412
InChI: InChI=1S/C20H23FN2O4/c1-11(2)23-8-7-17-14(13-9-12(21)5-6-16(13)22-17)10-15(19(24)26-3)18(23)20(25)27-4/h5-6,9,11,22H,7-8,10H2,1-4H3
InChI key: JMLOVPWQLASHGR-UHFFFAOYSA-N
SMILES: COC(=O)C1=C(N(CCc2[nH]c3ccc(F)cc3c2C1)C(C)C)C(=O)OC
Systematic name  (3):
  • 3-イソプロピル-8-フルオロ-2,3,6,11-テトラヒドロ-1H-アゾシノ[4,5-b]インドール-4,5-ジカルボン酸ジメチル
  • 4,5-ジメチル 8-フルオロ-3-(プロパン-2-イル)-1H,2H,3H,6H,11H-アゾシノ[4,5-b]インドール-4,5-ジカルボキシラート
  • 4,5-dimethyl 8-fluoro-3-(propan-2-yl)-1H,2H,3H,6H,11H-azocino[4,5-b]indole-4,5-dicarboxylate
Other name (1):
  • 3-Isopropyl-8-fluoro-2,3,6,11-tetrahydro-1H-azocino[4,5-b]indole-4,5-dicarboxylic acid dimethyl ester
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