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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H18ClNO5
Molecular Weight 363.792
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 3-carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate

SMILES

CCOC(=O)CC1=C(C(O)=O)C(C)=C(N1C)C(=O)C2=CC=C(Cl)C=C2

InChI

InChIKey=XIUGDICADCHKIA-UHFFFAOYSA-N
InChI=1S/C18H18ClNO5/c1-4-25-14(21)9-13-15(18(23)24)10(2)16(20(13)3)17(22)11-5-7-12(19)8-6-11/h5-8H,4,9H2,1-3H3,(H,23,24)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
Ethyl 3-carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate
Systematic Name English
2-Ethyl 3-carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate
Systematic Name English
1H-Pyrrole-2-acetic acid, 3-carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-, 2-ethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
13341685
Created by admin on Sat Dec 16 12:39:24 GMT 2023 , Edited by admin on Sat Dec 16 12:39:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
251-472-1
Created by admin on Sat Dec 16 12:39:24 GMT 2023 , Edited by admin on Sat Dec 16 12:39:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID50186984
Created by admin on Sat Dec 16 12:39:24 GMT 2023 , Edited by admin on Sat Dec 16 12:39:24 GMT 2023
PRIMARY
CAS
33369-29-8
Created by admin on Sat Dec 16 12:39:24 GMT 2023 , Edited by admin on Sat Dec 16 12:39:24 GMT 2023
PRIMARY
FDA UNII
FXT4XS8RQN
Created by admin on Sat Dec 16 12:39:24 GMT 2023 , Edited by admin on Sat Dec 16 12:39:24 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966