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Details

Stereochemistry ACHIRAL
Molecular Formula C20H17NO5
Molecular Weight 351.3527
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[(1-Ethyl-2-methyl-1h-indol-3-yl)carbonyl]isophthalic acid

SMILES

CCN1C(C)=C(C(=O)C2=C(C=C(C=C2)C(O)=O)C(O)=O)C3=C1C=CC=C3

InChI

InChIKey=RUEPPNNHGBTSCH-UHFFFAOYSA-N
InChI=1S/C20H17NO5/c1-3-21-11(2)17(14-6-4-5-7-16(14)21)18(22)13-9-8-12(19(23)24)10-15(13)20(25)26/h4-10H,3H2,1-2H3,(H,23,24)(H,25,26)

HIDE SMILES / InChI

Molecular Formula C20H17NO5
Molecular Weight 351.3527
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 Tue Apr 01 18:52:56 GMT 2025
Edited
by admin
on Tue Apr 01 18:52:56 GMT 2025
Record UNII
6E8B52VK4T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Benzenedicarboxylic acid, 4-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]-
Preferred Name English
4-[(1-Ethyl-2-methyl-1h-indol-3-yl)carbonyl]isophthalic acid
Systematic Name English
4-[(1-Ethyl-2-methyl-1H-indol-3-yl)carbonyl]-1,3-benzenedicarboxylic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
105557
Created by admin on Tue Apr 01 18:52:56 GMT 2025 , Edited by admin on Tue Apr 01 18:52:56 GMT 2025
PRIMARY
ECHA (EC/EINECS)
266-911-2
Created by admin on Tue Apr 01 18:52:56 GMT 2025 , Edited by admin on Tue Apr 01 18:52:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID1070569
Created by admin on Tue Apr 01 18:52:56 GMT 2025 , Edited by admin on Tue Apr 01 18:52:56 GMT 2025
PRIMARY
CAS
67697-32-9
Created by admin on Tue Apr 01 18:52:56 GMT 2025 , Edited by admin on Tue Apr 01 18:52:56 GMT 2025
PRIMARY
FDA UNII
6E8B52VK4T
Created by admin on Tue Apr 01 18:52:56 GMT 2025 , Edited by admin on Tue Apr 01 18:52:56 GMT 2025
PRIMARY