U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C25H39NO5
Molecular Weight 433.5809
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-Diethyl 2-(acetylamino)-2-[2-(4-octylphenyl)ethyl]propanedioate

SMILES

CCCCCCCCC1=CC=C(CCC(NC(C)=O)(C(=O)OCC)C(=O)OCC)C=C1

InChI

InChIKey=RYOKCHIAMHPMLV-UHFFFAOYSA-N
InChI=1S/C25H39NO5/c1-5-8-9-10-11-12-13-21-14-16-22(17-15-21)18-19-25(26-20(4)27,23(28)30-6-2)24(29)31-7-3/h14-17H,5-13,18-19H2,1-4H3,(H,26,27)

HIDE SMILES / InChI

Molecular Formula C25H39NO5
Molecular Weight 433.5809
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 11:13:26 GMT 2023
Edited
by admin
on Sat Dec 16 11:13:26 GMT 2023
Record UNII
YB2D5QV2ZF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Diethyl 2-(acetylamino)-2-[2-(4-octylphenyl)ethyl]propanedioate
Systematic Name English
Propanedioic acid, 2-(acetylamino)-2-[2-(4-octylphenyl)ethyl]-, 1,3-diethyl ester
Systematic Name English
Propanedioic acid, (acetylamino)[2-(4-octylphenyl)ethyl]-, diethyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
YB2D5QV2ZF
Created by admin on Sat Dec 16 11:13:26 GMT 2023 , Edited by admin on Sat Dec 16 11:13:26 GMT 2023
PRIMARY
PUBCHEM
9845753
Created by admin on Sat Dec 16 11:13:26 GMT 2023 , Edited by admin on Sat Dec 16 11:13:26 GMT 2023
PRIMARY
CAS
162358-08-9
Created by admin on Sat Dec 16 11:13:26 GMT 2023 , Edited by admin on Sat Dec 16 11:13:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID40431738
Created by admin on Sat Dec 16 11:13:26 GMT 2023 , Edited by admin on Sat Dec 16 11:13:26 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY