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Details

Stereochemistry ACHIRAL
Molecular Formula C17H19N3O4
Molecular Weight 329.3505
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOIC ACID, 3-CYANO-5-((3,5-DIETHYL-1-(2-HYDROXYETHYL)-1H-PYRAZOL-4-YL)OXY)-

SMILES

CCC1=NN(CCO)C(CC)=C1OC2=CC(=CC(=C2)C#N)C(O)=O

InChI

InChIKey=QLMVWPJMTGROCG-UHFFFAOYSA-N
InChI=1S/C17H19N3O4/c1-3-14-16(15(4-2)20(19-14)5-6-21)24-13-8-11(10-18)7-12(9-13)17(22)23/h7-9,21H,3-6H2,1-2H3,(H,22,23)

HIDE SMILES / InChI

Molecular Formula C17H19N3O4
Molecular Weight 329.3505
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 16:42:18 GMT 2023
Edited
by admin
on Sat Dec 16 16:42:18 GMT 2023
Record UNII
ETE5TH3K4R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOIC ACID, 3-CYANO-5-((3,5-DIETHYL-1-(2-HYDROXYETHYL)-1H-PYRAZOL-4-YL)OXY)-
Systematic Name English
LERSIVIRINE METABOLITE M13
Common Name English
Code System Code Type Description
PUBCHEM
156028074
Created by admin on Sat Dec 16 16:42:18 GMT 2023 , Edited by admin on Sat Dec 16 16:42:18 GMT 2023
PRIMARY
CAS
1807607-88-0
Created by admin on Sat Dec 16 16:42:18 GMT 2023 , Edited by admin on Sat Dec 16 16:42:18 GMT 2023
PRIMARY
FDA UNII
ETE5TH3K4R
Created by admin on Sat Dec 16 16:42:18 GMT 2023 , Edited by admin on Sat Dec 16 16:42:18 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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