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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 3-ETHYL-4-(2-CHLOROPHENYL)-2-(HYDROXYMETHYL)-6-METHYL-3,5-PYRIDINEDICARBOXYLIC ACID 5-METHYL ESTER

SMILES

CCOC(=O)C1=C(CO)N=C(C)C(C(=O)OC)=C1C2=C(Cl)C=CC=C2

InChI

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

HIDE SMILES / InChI

Molecular Formula C18H18ClNO5
Molecular Weight 363.792
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 Fri Dec 15 18:37:16 GMT 2023
Edited
by admin
on Fri Dec 15 18:37:16 GMT 2023
Record UNII
7YU451KK1E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ETHYL-4-(2-CHLOROPHENYL)-2-(HYDROXYMETHYL)-6-METHYL-3,5-PYRIDINEDICARBOXYLIC ACID 5-METHYL ESTER
Systematic Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 4-(2-CHLOROPHENYL)-2-(HYDROXYMETHYL)-6-METHYL-, 3-ETHYL 5-METHYL ESTER
Common Name English
Code System Code Type Description
CAS
114011-50-6
Created by admin on Fri Dec 15 18:37:16 GMT 2023 , Edited by admin on Fri Dec 15 18:37:16 GMT 2023
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FDA UNII
7YU451KK1E
Created by admin on Fri Dec 15 18:37:16 GMT 2023 , Edited by admin on Fri Dec 15 18:37:16 GMT 2023
PRIMARY
PUBCHEM
71587430
Created by admin on Fri Dec 15 18:37:16 GMT 2023 , Edited by admin on Fri Dec 15 18:37:16 GMT 2023
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EPA CompTox
DTXSID40150634
Created by admin on Fri Dec 15 18:37:16 GMT 2023 , Edited by admin on Fri Dec 15 18:37:16 GMT 2023
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