U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H16O3
Molecular Weight 268.3071
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL-2-(3-BENZOYLPHENYL)PROPANOATE, (S)-

SMILES

COC(=O)[C@@H](C)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2

InChI

InChIKey=BIOCOYIPJQMGTN-LBPRGKRZSA-N
InChI=1S/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H16O3
Molecular Weight 268.3071
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 Mon Mar 31 22:44:16 GMT 2025
Edited
by admin
on Mon Mar 31 22:44:16 GMT 2025
Record UNII
S65R4656M1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL-2-(3-BENZOYLPHENYL)PROPANOATE, (S)-
Systematic Name English
KETOPROFEN RELATED COMPOUND E
USP-RS  
Preferred Name English
(S)-METHYL-2-(3-BENZOYLPHENYL)PROPANOATE
Systematic Name English
BENZENEACETIC ACID, 3-BENZOYL-.ALPHA.-METHYL-, METHYL ESTER, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
838943
Created by admin on Mon Mar 31 22:44:16 GMT 2025 , Edited by admin on Mon Mar 31 22:44:16 GMT 2025
PRIMARY
FDA UNII
S65R4656M1
Created by admin on Mon Mar 31 22:44:16 GMT 2025 , Edited by admin on Mon Mar 31 22:44:16 GMT 2025
PRIMARY
CAS
81601-91-4
Created by admin on Mon Mar 31 22:44:16 GMT 2025 , Edited by admin on Mon Mar 31 22:44:16 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
Related Record Type Details
PARENT -> IMPURITY