[5-[2-(Acetyloxymethyl)-4-(4-cyanophenoxy)phenoxy]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate

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

Structure Search

SMILES

CC(=O)OCC1=C(OC2=CC(COC(C)=O)=C(C=C2)B3OC(C)(C)C(C)(C)O3)C=CC(OC4=CC=C(C=C4)C#N)=C1

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

Molecular Formula	C31H32BNO8
Molecular Weight	557.399
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:34:04 GMT 2025` Edited by `admin` on `Wed Apr 02 19:34:04 GMT 2025`
Record UNII	PT2AP624RM
Record Status	`Validated (UNII)`
Record Version

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Language

[5-[2-(Acetyloxymethyl)-4-(4-cyanophenoxy)phenoxy]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate

Preferred Name

English

Code System Code Type Description

PUBCHEM

168445486

Created by admin on Wed Apr 02 19:34:04 GMT 2025 , Edited by admin on Wed Apr 02 19:34:04 GMT 2025

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FDA UNII

PT2AP624RM

Created by admin on Wed Apr 02 19:34:04 GMT 2025 , Edited by admin on Wed Apr 02 19:34:04 GMT 2025

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