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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H21NO4
Molecular Weight 303.3529
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0
Stereo Comments Assumed E-isomer

SHOW SMILES / InChI
Structure of PS-2747

SMILES

COC1=CC(=CC(OC)=C1OC)\C=C\C(=O)NC(C)(C)C#C

InChI

InChIKey=APIXMWJMJACVBU-CMDGGOBGSA-N
InChI=1S/C17H21NO4/c1-7-17(2,3)18-15(19)9-8-12-10-13(20-4)16(22-6)14(11-12)21-5/h1,8-11H,2-6H3,(H,18,19)/b9-8+

HIDE SMILES / InChI

Molecular Formula C17H21NO4
Molecular Weight 303.3529
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 17:46:34 GMT 2025
Edited
by admin
on Mon Mar 31 17:46:34 GMT 2025
Record UNII
ZX6AYW6S15
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PS-2747
Code English
A-25794
Preferred Name English
N-(1,1-DIMETHYL-2-PROPYN-1-YL)-3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENAMIDE
Systematic Name English
2-PROPENAMIDE, N-(1,1-DIMETHYL-2-PROPYN-1-YL)-3-(3,4,5-TRIMETHOXYPHENYL)-
Common Name English
Code System Code Type Description
FDA UNII
ZX6AYW6S15
Created by admin on Mon Mar 31 17:46:34 GMT 2025 , Edited by admin on Mon Mar 31 17:46:34 GMT 2025
PRIMARY
CAS
22198-93-2
Created by admin on Mon Mar 31 17:46:34 GMT 2025 , Edited by admin on Mon Mar 31 17:46:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID801030854
Created by admin on Mon Mar 31 17:46:34 GMT 2025 , Edited by admin on Mon Mar 31 17:46:34 GMT 2025
PRIMARY
PUBCHEM
6433800
Created by admin on Mon Mar 31 17:46:34 GMT 2025 , Edited by admin on Mon Mar 31 17:46:34 GMT 2025
PRIMARY