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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22F3NO4
Molecular Weight 409.3989
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KCL-1999000269

SMILES

CC[C@@H](CC1=CC=C(OC)C(=C1)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)C(O)=O

InChI

InChIKey=YSFRXMSOTXOZQZ-HNNXBMFYSA-N
InChI=1S/C21H22F3NO4/c1-3-15(20(27)28)10-14-6-9-18(29-2)17(11-14)19(26)25-12-13-4-7-16(8-5-13)21(22,23)24/h4-9,11,15H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H22F3NO4
Molecular Weight 409.3989
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:02:39 GMT 2023
Edited
by admin
on Sat Dec 16 08:02:39 GMT 2023
Record UNII
19KW9LD704
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KCL-1999000269
Common Name English
BENZENEPROPANOIC ACID, .ALPHA.-ETHYL-4-METHOXY-3-((((4-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)CARBONYL)-, (.ALPHA.S)-
Systematic Name English
(+)-KCL-1999000269
Common Name English
Code System Code Type Description
FDA UNII
19KW9LD704
Created by admin on Sat Dec 16 08:02:40 GMT 2023 , Edited by admin on Sat Dec 16 08:02:40 GMT 2023
PRIMARY
PUBCHEM
10341445
Created by admin on Sat Dec 16 08:02:40 GMT 2023 , Edited by admin on Sat Dec 16 08:02:40 GMT 2023
PRIMARY
CAS
311769-66-1
Created by admin on Sat Dec 16 08:02:40 GMT 2023 , Edited by admin on Sat Dec 16 08:02:40 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY