U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C25H27IN2O2
Molecular Weight 514.3986
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1H-indole-3-carboxylate

SMILES

CCC1=CC=C(C=C1I)C(C)(C)C2=C(C(=O)OC(C)(C)C)C3=C(N2)C=C(C=C3)C#N

InChI

InChIKey=QJJFMODIDDQXRV-UHFFFAOYSA-N
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

HIDE SMILES / InChI

Molecular Formula C25H27IN2O2
Molecular Weight 514.3986
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:28:22 GMT 2025
Edited
by admin
on Wed Apr 02 19:28:22 GMT 2025
Record UNII
37G8J4GW2Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
tert-Butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1H-indole-3-carboxylate
Systematic Name English
1,1-Dimethylethyl 6-cyano-2-[1-(4-ethyl-3-iodophenyl)-1-methylethyl]-1H-indole-3-carboxylate
Preferred Name English
Code System Code Type Description
CAS
1256584-75-4
Created by admin on Wed Apr 02 19:28:22 GMT 2025 , Edited by admin on Wed Apr 02 19:28:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID201110884
Created by admin on Wed Apr 02 19:28:22 GMT 2025 , Edited by admin on Wed Apr 02 19:28:22 GMT 2025
PRIMARY
PUBCHEM
66835052
Created by admin on Wed Apr 02 19:28:22 GMT 2025 , Edited by admin on Wed Apr 02 19:28:22 GMT 2025
PRIMARY
FDA UNII
37G8J4GW2Z
Created by admin on Wed Apr 02 19:28:22 GMT 2025 , Edited by admin on Wed Apr 02 19:28:22 GMT 2025
PRIMARY