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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H14O5
Molecular Weight 286.2794
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(benzyloxy)-3-(methoxycarbonyl)benzoic acid

SMILES

COC(=O)C1=CC(=CC=C1OCC2=CC=CC=C2)C(O)=O

InChI

InChIKey=MNLNIOZMKGDDDY-UHFFFAOYSA-N
InChI=1S/C16H14O5/c1-20-16(19)13-9-12(15(17)18)7-8-14(13)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C16H14O5
Molecular Weight 286.2794
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 19:21:05 GMT 2025
Edited
by admin
on Wed Apr 02 19:21:05 GMT 2025
Record UNII
SQF8K64Z97
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Benzenedicarboxylic acid,4-(phenylmethoxy)-,3-methyl ester
Preferred Name English
4-(benzyloxy)-3-(methoxycarbonyl)benzoic acid
Common Name English
Code System Code Type Description
CAS
1285516-45-1
Created by admin on Wed Apr 02 19:21:05 GMT 2025 , Edited by admin on Wed Apr 02 19:21:05 GMT 2025
PRIMARY
FDA UNII
SQF8K64Z97
Created by admin on Wed Apr 02 19:21:05 GMT 2025 , Edited by admin on Wed Apr 02 19:21:05 GMT 2025
PRIMARY
PUBCHEM
67106777
Created by admin on Wed Apr 02 19:21:05 GMT 2025 , Edited by admin on Wed Apr 02 19:21:05 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY