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Details

Stereochemistry ACHIRAL
Molecular Formula C31H32BNO8
Molecular Weight 557.399
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [5-[2-(Acetyloxymethyl)-4-(4-cyanophenoxy)phenoxy]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate

SMILES

CC(=O)OCC1=CC(OC2=CC=C(C=C2)C#N)=CC=C1OC3=CC=C(B4OC(C)(C)C(C)(C)O4)C(COC(C)=O)=C3

InChI

InChIKey=MEWPWSSOQKHFSS-UHFFFAOYSA-N
InChI=1S/C31H32BNO8/c1-20(34)36-18-23-15-27(11-13-28(23)32-40-30(3,4)31(5,6)41-32)39-29-14-12-26(16-24(29)19-37-21(2)35)38-25-9-7-22(17-33)8-10-25/h7-16H,18-19H2,1-6H3

HIDE SMILES / InChI

Approval Year

Name Type Language
[5-[2-(Acetyloxymethyl)-4-(4-cyanophenoxy)phenoxy]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
Systematic Name English
Code System Code Type Description
PUBCHEM
168445486
Created by admin on Sat Dec 16 20:21:01 GMT 2023 , Edited by admin on Sat Dec 16 20:21:01 GMT 2023
PRIMARY
FDA UNII
PT2AP624RM
Created by admin on Sat Dec 16 20:21:01 GMT 2023 , Edited by admin on Sat Dec 16 20:21:01 GMT 2023
PRIMARY