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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O4
Molecular Weight 238.2796
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3,5-dimethoxy-4-(1-methylethyl)benzoate

SMILES

COC(=O)C1=CC(OC)=C(C(C)C)C(OC)=C1

InChI

InChIKey=TVZJWLXRNLZUBP-UHFFFAOYSA-N
InChI=1S/C13H18O4/c1-8(2)12-10(15-3)6-9(13(14)17-5)7-11(12)16-4/h6-8H,1-5H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Methyl 3,5-dimethoxy-4-(1-methylethyl)benzoate
Systematic Name English
Benzoic acid, 3,5-dimethoxy-4-(1-methylethyl)-, methyl ester
Preferred Name English
Methyl 3,5-dimethoxy-4-isopropylbenzoate
Systematic Name English
Code System Code Type Description
FDA UNII
3255434ELP
Created by admin on Wed Apr 02 19:16:46 GMT 2025 , Edited by admin on Wed Apr 02 19:16:46 GMT 2025
PRIMARY
PUBCHEM
24798870
Created by admin on Wed Apr 02 19:16:46 GMT 2025 , Edited by admin on Wed Apr 02 19:16:46 GMT 2025
PRIMARY
CAS
344396-17-4
Created by admin on Wed Apr 02 19:16:46 GMT 2025 , Edited by admin on Wed Apr 02 19:16:46 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966