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Details

Stereochemistry ACHIRAL
Molecular Formula C21H19Cl2N3O4
Molecular Weight 448.299
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5-Bis(2-cyanoethyl) 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate

SMILES

CC1=C(C(C2=CC=CC(Cl)=C2Cl)C(C(=O)OCCC#N)=C(C)N1)C(=O)OCCC#N

InChI

InChIKey=CYRXPMAQIWZHMN-UHFFFAOYSA-N
InChI=1S/C21H19Cl2N3O4/c1-12-16(20(27)29-10-4-8-24)18(14-6-3-7-15(22)19(14)23)17(13(2)26-12)21(28)30-11-5-9-25/h3,6-7,18,26H,4-5,10-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C21H19Cl2N3O4
Molecular Weight 448.299
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 17:13:31 GMT 2025
Edited
by admin
on Wed Apr 02 17:13:31 GMT 2025
Record UNII
2G4SKS3R5P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3,5-bis(2-cyanoethyl) ester
Preferred Name English
3,5-Bis(2-cyanoethyl) 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
Systematic Name English
3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, bis(2-cyanoethyl) ester
Systematic Name English
Code System Code Type Description
FDA UNII
2G4SKS3R5P
Created by admin on Wed Apr 02 17:13:31 GMT 2025 , Edited by admin on Wed Apr 02 17:13:31 GMT 2025
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CAS
175688-79-6
Created by admin on Wed Apr 02 17:13:31 GMT 2025 , Edited by admin on Wed Apr 02 17:13:31 GMT 2025
PRIMARY
PUBCHEM
10961314
Created by admin on Wed Apr 02 17:13:31 GMT 2025 , Edited by admin on Wed Apr 02 17:13:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID201117266
Created by admin on Wed Apr 02 17:13:31 GMT 2025 , Edited by admin on Wed Apr 02 17:13:31 GMT 2025
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