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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H20F3N3O3
Molecular Weight 383.3649
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1-Dimethylethyl N-[(1R)-3-(1H-imidazol-1-yl)-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]carbamate

SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)N1C=CN=C1)CC2=CC(F)=C(F)C=C2F

InChI

InChIKey=NNILWNHERXQEQA-GFCCVEGCSA-N
InChI=1S/C18H20F3N3O3/c1-18(2,3)27-17(26)23-12(8-16(25)24-5-4-22-10-24)6-11-7-14(20)15(21)9-13(11)19/h4-5,7,9-10,12H,6,8H2,1-3H3,(H,23,26)/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H20F3N3O3
Molecular Weight 383.3649
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:22:11 GMT 2025
Edited
by admin
on Wed Apr 02 19:22:11 GMT 2025
Record UNII
9F4GT7F9XT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Carbamic acid, N-[(1R)-3-(1H-imidazol-1-yl)-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]-, 1,1-dimethylethyl ester
Preferred Name English
1,1-Dimethylethyl N-[(1R)-3-(1H-imidazol-1-yl)-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]carbamate
Systematic Name English
tert-Butyl [(R)-1-(2,4,5-trifluorophenyl)-4-(1H-imidazol-1-yl)-4-oxobutan-2-yl]carbamate
Systematic Name English
Code System Code Type Description
CAS
1364122-90-6
Created by admin on Wed Apr 02 19:22:11 GMT 2025 , Edited by admin on Wed Apr 02 19:22:11 GMT 2025
PRIMARY
PUBCHEM
56962559
Created by admin on Wed Apr 02 19:22:11 GMT 2025 , Edited by admin on Wed Apr 02 19:22:11 GMT 2025
PRIMARY
FDA UNII
9F4GT7F9XT
Created by admin on Wed Apr 02 19:22:11 GMT 2025 , Edited by admin on Wed Apr 02 19:22:11 GMT 2025
PRIMARY