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Details

Stereochemistry ACHIRAL
Molecular Formula C15H15N3O3
Molecular Weight 285.2979
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CYANO-5-((3,5-DIETHYL-1H-PYRAZOL-4-YL)OXY)BENZOIC ACID

SMILES

CCC1=NNC(CC)=C1OC2=CC(=CC(=C2)C#N)C(O)=O

InChI

InChIKey=SLIONEWPUKAHGU-UHFFFAOYSA-N
InChI=1S/C15H15N3O3/c1-3-12-14(13(4-2)18-17-12)21-11-6-9(8-16)5-10(7-11)15(19)20/h5-7H,3-4H2,1-2H3,(H,17,18)(H,19,20)

HIDE SMILES / InChI

Molecular Formula C15H15N3O3
Molecular Weight 285.2979
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 16:12:44 GMT 2023
Edited
by admin
on Sat Dec 16 16:12:44 GMT 2023
Record UNII
LB8PZ67QE9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CYANO-5-((3,5-DIETHYL-1H-PYRAZOL-4-YL)OXY)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 3-CYANO-5-((3,5-DIETHYL-1H-PYRAZOL-4-YL)OXY)-
Systematic Name English
LERSIVIRINE METABOLITE M16
Common Name English
Code System Code Type Description
CAS
1807757-16-9
Created by admin on Sat Dec 16 16:12:44 GMT 2023 , Edited by admin on Sat Dec 16 16:12:44 GMT 2023
PRIMARY
FDA UNII
LB8PZ67QE9
Created by admin on Sat Dec 16 16:12:44 GMT 2023 , Edited by admin on Sat Dec 16 16:12:44 GMT 2023
PRIMARY
PUBCHEM
156028132
Created by admin on Sat Dec 16 16:12:44 GMT 2023 , Edited by admin on Sat Dec 16 16:12:44 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL