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Details

Stereochemistry ACHIRAL
Molecular Formula C17H19NO4
Molecular Weight 301.3371
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-Diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate

SMILES

CCOC(=O)C1=C(C(C(=O)OCC)=C(C)N1)C2=CC=CC=C2

InChI

InChIKey=WFCFVRPMQNZKLE-UHFFFAOYSA-N
InChI=1S/C17H19NO4/c1-4-21-16(19)13-11(3)18-15(17(20)22-5-2)14(13)12-9-7-6-8-10-12/h6-10,18H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C17H19NO4
Molecular Weight 301.3371
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 Wed Apr 02 15:09:51 GMT 2025
Edited
by admin
on Wed Apr 02 15:09:51 GMT 2025
Record UNII
96FY6447U7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-Diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate
Systematic Name English
NSC-156122
Preferred Name English
Pyrrole-2,4-dicarboxylic acid, 5-methyl-3-phenyl-, diethyl ester
Systematic Name English
1H-Pyrrole-2,4-dicarboxylic acid, 5-methyl-3-phenyl-, 2,4-diethyl ester
Systematic Name English
1H-Pyrrole-2,4-dicarboxylic acid, 5-methyl-3-phenyl-, diethyl ester
Systematic Name English
Diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate
Systematic Name English
Code System Code Type Description
FDA UNII
96FY6447U7
Created by admin on Wed Apr 02 15:09:51 GMT 2025 , Edited by admin on Wed Apr 02 15:09:51 GMT 2025
PRIMARY
NSC
156122
Created by admin on Wed Apr 02 15:09:51 GMT 2025 , Edited by admin on Wed Apr 02 15:09:51 GMT 2025
PRIMARY
CAS
3651-13-6
Created by admin on Wed Apr 02 15:09:51 GMT 2025 , Edited by admin on Wed Apr 02 15:09:51 GMT 2025
PRIMARY
PUBCHEM
291171
Created by admin on Wed Apr 02 15:09:51 GMT 2025 , Edited by admin on Wed Apr 02 15:09:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID50303018
Created by admin on Wed Apr 02 15:09:51 GMT 2025 , Edited by admin on Wed Apr 02 15:09:51 GMT 2025
PRIMARY