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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H16O4
Molecular Weight 284.3065
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 5-acetyl-2-(benzyloxy)benzoate

SMILES

COC(=O)C1=C(OCC2=CC=CC=C2)C=CC(=C1)C(C)=O

InChI

InChIKey=CCBVZNHYLQHOLD-UHFFFAOYSA-N
InChI=1S/C17H16O4/c1-12(18)14-8-9-16(15(10-14)17(19)20-2)21-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H16O4
Molecular Weight 284.3065
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 Sat Dec 16 20:20:13 GMT 2023
Edited
by admin
on Sat Dec 16 20:20:13 GMT 2023
Record UNII
S6D36MW93E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 5-acetyl-2-(benzyloxy)benzoate
Systematic Name English
Benzoic acid,5-acetyl-2-(phenylmethoxy)-,methyl ester
Systematic Name English
2-Benzyloxy-5-acetylbenzoic Acid Methyl Ester
Systematic Name English
Code System Code Type Description
CAS
27475-09-8
Created by admin on Sat Dec 16 20:20:13 GMT 2023 , Edited by admin on Sat Dec 16 20:20:13 GMT 2023
PRIMARY
FDA UNII
S6D36MW93E
Created by admin on Sat Dec 16 20:20:13 GMT 2023 , Edited by admin on Sat Dec 16 20:20:13 GMT 2023
PRIMARY
PUBCHEM
12368981
Created by admin on Sat Dec 16 20:20:13 GMT 2023 , Edited by admin on Sat Dec 16 20:20:13 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY