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Details

Stereochemistry ACHIRAL
Molecular Formula C22H23NO4
Molecular Weight 365.4223
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoate

SMILES

CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)OC

InChI

InChIKey=JLCLOAYOQLRDSK-UHFFFAOYSA-N
InChI=1S/C22H23NO4/c1-3-4-5-14-26-19-12-10-17(11-13-19)21-15-20(23-27-21)16-6-8-18(9-7-16)22(24)25-2/h6-13,15H,3-5,14H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Benzoic acid, 4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]-, methyl ester
Preferred Name English
Methyl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoate
Systematic Name English
Code System Code Type Description
PUBCHEM
10737571
Created by admin on Wed Apr 02 19:53:01 GMT 2025 , Edited by admin on Wed Apr 02 19:53:01 GMT 2025
PRIMARY
CAS
179162-64-2
Created by admin on Wed Apr 02 19:53:01 GMT 2025 , Edited by admin on Wed Apr 02 19:53:01 GMT 2025
PRIMARY
FDA UNII
NXE2QT8H2A
Created by admin on Wed Apr 02 19:53:01 GMT 2025 , Edited by admin on Wed Apr 02 19:53:01 GMT 2025
PRIMARY
NIH
NCATS
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