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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H17F3N2O4
Molecular Weight 406.3552
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGS-7181

SMILES

CCOC(=O)C1=C(O)N(C(=O)NC2=CC=C(C)C=C2)C3=C1C=CC(=C3)C(F)(F)F

InChI

InChIKey=YMEXYIFTFLKKQK-UHFFFAOYSA-N
InChI=1S/C20H17F3N2O4/c1-3-29-18(27)16-14-9-6-12(20(21,22)23)10-15(14)25(17(16)26)19(28)24-13-7-4-11(2)5-8-13/h4-10,26H,3H2,1-2H3,(H,24,28)

HIDE SMILES / InChI

Molecular Formula C20H17F3N2O4
Molecular Weight 406.3552
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 Sat Dec 16 08:24:51 GMT 2023
Edited
by admin
on Sat Dec 16 08:24:51 GMT 2023
Record UNII
P78LWY7Y5T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGS-7181
Common Name English
1H-INDOLE-3-CARBOXYLIC ACID, 2-HYDROXY-1-(((4-METHYLPHENYL)AMINO)CARBONYL)-6-(TRIFLUOROMETHYL)-, ETHYL ESTER
Systematic Name English
1H-INDOLE-3-CARBOXYLIC ACID, 1-(((4-METHYLPHENYL)AMINO)CARBONYL)-2-HYDROXY-6-(TRIFLUOROMETHYL)-, ETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
P78LWY7Y5T
Created by admin on Sat Dec 16 08:24:51 GMT 2023 , Edited by admin on Sat Dec 16 08:24:51 GMT 2023
PRIMARY
CAS
200345-93-3
Created by admin on Sat Dec 16 08:24:51 GMT 2023 , Edited by admin on Sat Dec 16 08:24:51 GMT 2023
PRIMARY
PUBCHEM
656759
Created by admin on Sat Dec 16 08:24:51 GMT 2023 , Edited by admin on Sat Dec 16 08:24:51 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY