1,1-Dimethylethyl 6-cyano-2-[1-(4-ethyl-3-iodophenyl)-1-methylethyl]-1H-indole-3-carboxylate

CAS Registry Number®

1256584-75-4
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CAS Name

1,1-Dimethylethyl 6-cyano-2-[1-(4-ethyl-3-iodophenyl)-1-methylethyl]-1H-indole-3-carboxylate

Molecular Formula

C25H27IN2O2

Molecular Mass

514.40

Cite this Page

1,1-Dimethylethyl 6-cyano-2-[1-(4-ethyl-3-iodophenyl)-1-methylethyl]-1H-indole-3-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1256584-75-4 (retrieved 2024-07-29) (CAS RN: 1256584-75-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H27IN2O2/c1-7-16-9-10-17(13-19(16)26)25(5,6)22-21(23(29)30-24(2,3)4)18-11-8-15(14-27)12-20(18)28-22/h8-13,28H,7H2,1-6H3

InChIKey

InChIKey=QJJFMODIDDQXRV-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)C1=C(C(C)(C)C2=CC(I)=C(CC)C=C2)NC=3C1=CC=C(C#N)C3

Canonical SMILES

N#CC=1C=CC2=C(C1)NC(=C2C(=O)OC(C)(C)C)C(C3=CC=C(C(I)=C3)CC)(C)C

Other Names for this Substance

  • 1H-Indole-3-carboxylic acid, 6-cyano-2-[1-(4-ethyl-3-iodophenyl)-1-methylethyl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 6-cyano-2-[1-(4-ethyl-3-iodophenyl)-1-methylethyl]-1H-indole-3-carboxylate