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Details

Stereochemistry ACHIRAL
Molecular Formula C25H20BrNO6
Molecular Weight 510.333
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(2-(Acetoxymethyl)-4-(4-cyanophenoxy)phenoxy)-2-bromobenzyl acetate

SMILES

CC(=O)OCC1=CC(OC2=CC=C(OC3=CC=C(C=C3)C#N)C=C2COC(C)=O)=CC=C1Br

InChI

InChIKey=MHKBMLDSYKXSLQ-UHFFFAOYSA-N
InChI=1S/C25H20BrNO6/c1-16(28)30-14-19-11-23(7-9-24(19)26)33-25-10-8-22(12-20(25)15-31-17(2)29)32-21-5-3-18(13-27)4-6-21/h3-12H,14-15H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
5-(2-(Acetoxymethyl)-4-(4-cyanophenoxy)phenoxy)-2-bromobenzyl acetate
Systematic Name English
Code System Code Type Description
FDA UNII
QEH38AT3CE
Created by admin on Sat Dec 16 20:21:34 GMT 2023 , Edited by admin on Sat Dec 16 20:21:34 GMT 2023
PRIMARY
PUBCHEM
168445318
Created by admin on Sat Dec 16 20:21:34 GMT 2023 , Edited by admin on Sat Dec 16 20:21:34 GMT 2023
PRIMARY
NIH
NCATS
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