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Details

Stereochemistry RACEMIC
Molecular Formula C24H24F3NO3
Molecular Weight 431.4475
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-CYANO-.ALPHA.-(4-(1,1-DIMETHYLETHYL)PHENYL)-.BETA.-OXO-2-(TRIFLUOROMETHYL)BENZENEPROPANOIC ACID ISOPROPYL ESTER

SMILES

CC(C)OC(=O)C(C#N)(C(=O)C1=CC=CC=C1C(F)(F)F)C2=CC=C(C=C2)C(C)(C)C

InChI

InChIKey=FGDPBNUZRRWDCG-UHFFFAOYSA-N
InChI=1S/C24H24F3NO3/c1-15(2)31-21(30)23(14-28,17-12-10-16(11-13-17)22(3,4)5)20(29)18-8-6-7-9-19(18)24(25,26)27/h6-13,15H,1-5H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
BENZENEPROPANOIC ACID, .ALPHA.-CYANO-.ALPHA.-(4-(1,1-DIMETHYLETHYL)PHENYL)-.BETA.-OXO-2-(TRIFLUOROMETHYL)-, 1-METHYLETHYL ESTER
Preferred Name English
.ALPHA.-CYANO-.ALPHA.-(4-(1,1-DIMETHYLETHYL)PHENYL)-.BETA.-OXO-2-(TRIFLUOROMETHYL)BENZENEPROPANOIC ACID ISOPROPYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
91810648
Created by admin on Mon Mar 31 22:43:09 GMT 2025 , Edited by admin on Mon Mar 31 22:43:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID60895797
Created by admin on Mon Mar 31 22:43:09 GMT 2025 , Edited by admin on Mon Mar 31 22:43:09 GMT 2025
PRIMARY
FDA UNII
45609J6PBD
Created by admin on Mon Mar 31 22:43:09 GMT 2025 , Edited by admin on Mon Mar 31 22:43:09 GMT 2025
PRIMARY
CAS
400882-00-0
Created by admin on Mon Mar 31 22:43:09 GMT 2025 , Edited by admin on Mon Mar 31 22:43:09 GMT 2025
PRIMARY
NIH
NCATS
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