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Details

Stereochemistry ACHIRAL
Molecular Formula C18H17ClO3
Molecular Weight 316.779
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [4-(2-Chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate

SMILES

CC1=CC=C(C(=O)OCC2=CC=C(CC(Cl)=O)C=C2)C(C)=C1

InChI

InChIKey=CBSOJSQBQADZLG-UHFFFAOYSA-N
InChI=1S/C18H17ClO3/c1-12-3-8-16(13(2)9-12)18(21)22-11-15-6-4-14(5-7-15)10-17(19)20/h3-9H,10-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H17ClO3
Molecular Weight 316.779
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 18:18:49 GMT 2025
Edited
by admin
on Wed Apr 02 18:18:49 GMT 2025
Record UNII
NUP7APT2CJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2-Chloro-2-oxoethyl)benzyl 2,4-dimethylbenzoate
Preferred Name English
[4-(2-Chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate
Systematic Name English
Benzoic acid, 2,4-dimethyl-, [4-(2-chloro-2-oxoethyl)phenyl]methyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
NUP7APT2CJ
Created by admin on Wed Apr 02 18:18:49 GMT 2025 , Edited by admin on Wed Apr 02 18:18:49 GMT 2025
PRIMARY
PUBCHEM
129085690
Created by admin on Wed Apr 02 18:18:49 GMT 2025 , Edited by admin on Wed Apr 02 18:18:49 GMT 2025
PRIMARY
CAS
2097334-17-1
Created by admin on Wed Apr 02 18:18:49 GMT 2025 , Edited by admin on Wed Apr 02 18:18:49 GMT 2025
PRIMARY