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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H25ClN2O2
Molecular Weight 384.899
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-[2-[4-[3-(4-Chlorophenyl)-2-propen-1-yl]-1-piperazinyl]ethyl]benzoic acid

SMILES

OC(=O)C1=CC=C(CCN2CCN(C\C=C\C3=CC=C(Cl)C=C3)CC2)C=C1

InChI

InChIKey=YQIGCNRBMYEJID-OWOJBTEDSA-N
InChI=1S/C22H25ClN2O2/c23-21-9-5-18(6-10-21)2-1-12-24-14-16-25(17-15-24)13-11-19-3-7-20(8-4-19)22(26)27/h1-10H,11-17H2,(H,26,27)/b2-1+

HIDE SMILES / InChI

Molecular Formula C22H25ClN2O2
Molecular Weight 384.899
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 19:34:57 GMT 2025
Edited
by admin
on Mon Mar 31 19:34:57 GMT 2025
Record UNII
FE9XN4NVW4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[2-[4-[3-(4-Chlorophenyl)-2-propen-1-yl]-1-piperazinyl]ethyl]benzoic acid
Systematic Name English
BM-15766
Preferred Name English
Benzoic acid, 4-[2-[4-[3-(4-chlorophenyl)-2-propen-1-yl]-1-piperazinyl]ethyl]-
Systematic Name English
Benzoic acid, 4-[2-[4-[3-(4-chlorophenyl)-2-propenyl]-1-piperazinyl]ethyl]-
Systematic Name English
Code System Code Type Description
CAS
86621-92-3
Created by admin on Mon Mar 31 19:34:57 GMT 2025 , Edited by admin on Mon Mar 31 19:34:57 GMT 2025
PRIMARY
EPA CompTox
DTXSID701143412
Created by admin on Mon Mar 31 19:34:57 GMT 2025 , Edited by admin on Mon Mar 31 19:34:57 GMT 2025
PRIMARY
PUBCHEM
6437849
Created by admin on Mon Mar 31 19:34:57 GMT 2025 , Edited by admin on Mon Mar 31 19:34:57 GMT 2025
PRIMARY
FDA UNII
FE9XN4NVW4
Created by admin on Mon Mar 31 19:34:57 GMT 2025 , Edited by admin on Mon Mar 31 19:34:57 GMT 2025
PRIMARY