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Details

Stereochemistry ACHIRAL
Molecular Formula C14H13NO2
Molecular Weight 227.2585
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phenylethyl nicotinate

SMILES

O=C(OCCC1=CC=CC=C1)C2=CN=CC=C2

InChI

InChIKey=BSTITMHKRRGVPH-UHFFFAOYSA-N
InChI=1S/C14H13NO2/c16-14(13-7-4-9-15-11-13)17-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Phenylethyl nicotinate
Common Name English
2-Phenylethyl nicotinate
Preferred Name English
2-(2-phenylethyl)-3-pyridinecarboxylic acid
Systematic Name English
3-Pyridinecarboxylic acid, 2-phenylethyl ester
Systematic Name English
Phenethyl 3-pyridinecarboxylate
Systematic Name English
Code System Code Type Description
PUBCHEM
533065
Created by admin on Wed Apr 02 20:23:32 GMT 2025 , Edited by admin on Wed Apr 02 20:23:32 GMT 2025
PRIMARY
CAS
71653-43-5
Created by admin on Wed Apr 02 20:23:32 GMT 2025 , Edited by admin on Wed Apr 02 20:23:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID80992232
Created by admin on Wed Apr 02 20:23:32 GMT 2025 , Edited by admin on Wed Apr 02 20:23:32 GMT 2025
PRIMARY
FDA UNII
FM4H76JXT8
Created by admin on Wed Apr 02 20:23:32 GMT 2025 , Edited by admin on Wed Apr 02 20:23:32 GMT 2025
PRIMARY
NIH
NCATS
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