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Details

Stereochemistry RACEMIC
Molecular Formula C19H18BrNO3
Molecular Weight 388.255
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[4-Bromo-3-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]phenoxy]benzonitrile

SMILES

BrC1=C(COC2CCCCO2)C=C(OC3=CC=C(C=C3)C#N)C=C1

InChI

InChIKey=FSRXMCXXMADZQL-UHFFFAOYSA-N
InChI=1S/C19H18BrNO3/c20-18-9-8-17(24-16-6-4-14(12-21)5-7-16)11-15(18)13-23-19-3-1-2-10-22-19/h4-9,11,19H,1-3,10,13H2

HIDE SMILES / InChI

Approval Year

Name Type Language
Benzonitrile, 4-[4-bromo-3-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]phenoxy]-
Preferred Name English
4-[4-Bromo-3-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]phenoxy]benzonitrile
Systematic Name English
Code System Code Type Description
CAS
943311-78-2
Created by admin on Wed Apr 02 20:07:13 GMT 2025 , Edited by admin on Wed Apr 02 20:07:13 GMT 2025
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FDA UNII
NJ4MCA7MMX
Created by admin on Wed Apr 02 20:07:13 GMT 2025 , Edited by admin on Wed Apr 02 20:07:13 GMT 2025
PRIMARY
PUBCHEM
131888154
Created by admin on Wed Apr 02 20:07:13 GMT 2025 , Edited by admin on Wed Apr 02 20:07:13 GMT 2025
PRIMARY