Chem
J-GLOBAL ID：201407090282626828   Nikkaji number：J3.290.794F

3-Benzyloxy-13-cyclohexyl-7H-indolo[2,1-a][2]benzoazepine-6,10-dicarboxylic acid 6-methyl 10-tert-butyl ester

3-ベンジルオキシ-13-シクロヘキシル-7H-インドロ[2,1-a][2]ベンゾアゼピン-6,10-ジカルボン酸6-メチル10-tert-ブチル
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： C37H39NO5
Molecular formula furigana： C37-H39-N-O5
Molecular weight： 577.721
InChI： InChI=1S/C37H39NO5/c1-37(2,3)43-36(40)26-15-17-31-32(21-26)38-22-28(35(39)41-4)19-27-20-29(42-23-24-11-7-5-8-12-24)16-18-30(27)34(38)33(31)25-13-9-6-10-14-25/h5,7-8,11-12,15-21,25H,6,9-10,13-14,22-23H2,1-4H3
InChI key： XMCPYZKTQMDWFS-UHFFFAOYSA-N
SMILES： COC(=O)C1=Cc2cc(OCc3ccccc3)ccc2c2c(C3CCCCC3)c3ccc(cc3n2C1)C(=O)OC(C)(C)C
Systematic name  (3)：
  • 3-ベンジルオキシ-13-シクロヘキシル-7H-インドロ[2,1-a][2]ベンゾアゼピン-6,10-ジカルボン酸6-メチル10-tert-ブチル
  • 14-tert-ブチル 9-メチル 5-(ベンジルオキシ)-18-シクロヘキシル-11-アザテトラシクロ[9.7.0.02,7.012,17]オクタデカ-1(18),2,4,6,8,12,14,16-オクタエン-9,14-ジカルボキシラート
  • 14-tert-butyl 9-methyl 5-(benzyloxy)-18-cyclohexyl-11-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,8,12,14,16-octaene-9,14-dicarboxylate
Other name (1)：
  • 3-Benzyloxy-13-cyclohexyl-7H-indolo[2,1-a][2]benzoazepine-6,10-dicarboxylic acid 6-methyl 10-tert-butyl ester
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