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Details

Stereochemistry RACEMIC
Molecular Formula C16H24O2
Molecular Weight 248.3606
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ibuprofen Isopropyl Ester

SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC(C)C

InChI

InChIKey=RVZWLHIFEPTVBC-UHFFFAOYSA-N
InChI=1S/C16H24O2/c1-11(2)10-14-6-8-15(9-7-14)13(5)16(17)18-12(3)4/h6-9,11-13H,10H2,1-5H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Ibuprofen Isopropyl Ester
Common Name English
1-Methylethyl ?-methyl-4-(2-methylpropyl)benzeneacetate
Preferred Name English
Benzeneacetic acid, ?-methyl-4-(2-methylpropyl)-, 1-methylethyl ester
Systematic Name English
Isopropyl 2-(4-isobutylphenyl)propanoate
Systematic Name English
2-(4-Isobutylphenyl)propionic acid isopropyl ester
Systematic Name English
Isopropyl ?-(p-isobutylphenyl)propionate
Systematic Name English
Code System Code Type Description
PUBCHEM
11139492
Created by admin on Wed Apr 02 17:54:42 GMT 2025 , Edited by admin on Wed Apr 02 17:54:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID001207287
Created by admin on Wed Apr 02 17:54:42 GMT 2025 , Edited by admin on Wed Apr 02 17:54:42 GMT 2025
PRIMARY
FDA UNII
J43H5XK4QN
Created by admin on Wed Apr 02 17:54:42 GMT 2025 , Edited by admin on Wed Apr 02 17:54:42 GMT 2025
PRIMARY
CAS
64622-17-9
Created by admin on Wed Apr 02 17:54:42 GMT 2025 , Edited by admin on Wed Apr 02 17:54:42 GMT 2025
PRIMARY
NIH
NCATS
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