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Details

Stereochemistry ACHIRAL
Molecular Formula C22H24BNO5
Molecular Weight 393.241
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[3-[(Acetyloxy)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]benzonitrile

SMILES

CC(=O)OCC1=CC(OC2=CC=C(C=C2)C#N)=CC=C1B3OC(C)(C)C(C)(C)O3

InChI

InChIKey=ONFDBEJIGUEGNT-UHFFFAOYSA-N
InChI=1S/C22H24BNO5/c1-15(25)26-14-17-12-19(27-18-8-6-16(13-24)7-9-18)10-11-20(17)23-28-21(2,3)22(4,5)29-23/h6-12H,14H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C22H24BNO5
Molecular Weight 393.241
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 Sat Dec 16 20:20:04 GMT 2023
Edited
by admin
on Sat Dec 16 20:20:04 GMT 2023
Record UNII
KFK29TC739
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[3-[(Acetyloxy)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]benzonitrile
Systematic Name English
Benzonitrile, 4-[3-[(acetyloxy)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-
Systematic Name English
[5-(4-cyanophenoxy)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
Systematic Name English
Code System Code Type Description
FDA UNII
KFK29TC739
Created by admin on Sat Dec 16 20:20:04 GMT 2023 , Edited by admin on Sat Dec 16 20:20:04 GMT 2023
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PUBCHEM
142469750
Created by admin on Sat Dec 16 20:20:04 GMT 2023 , Edited by admin on Sat Dec 16 20:20:04 GMT 2023
PRIMARY
CAS
2227126-13-6
Created by admin on Sat Dec 16 20:20:04 GMT 2023 , Edited by admin on Sat Dec 16 20:20:04 GMT 2023
PRIMARY