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Details

Stereochemistry RACEMIC
Molecular Formula C18H19N3O5
Molecular Weight 357.3606
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2,1,3-BENZOXADIAZOL-4-YL)-1,4-DIHYDRO-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLIC ACID, 3-(1-METHYLETHYL) ESTER

SMILES

CC(C)OC(=O)C1=C(C)NC(C)=C(C1C2=CC=CC3=NON=C23)C(O)=O

InChI

InChIKey=JNLUMMRKXUTNAA-UHFFFAOYSA-N
InChI=1S/C18H19N3O5/c1-8(2)25-18(24)14-10(4)19-9(3)13(17(22)23)15(14)11-6-5-7-12-16(11)21-26-20-12/h5-8,15,19H,1-4H3,(H,22,23)

HIDE SMILES / InChI

Molecular Formula C18H19N3O5
Molecular Weight 357.3606
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:27:49 GMT 2025
Edited
by admin
on Mon Mar 31 18:27:49 GMT 2025
Record UNII
21OX6T789B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2,1,3-BENZOXADIAZOL-4-YL)-1,4-DIHYDRO-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLIC ACID, 3-(1-METHYLETHYL) ESTER
Common Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 4-(2,1,3-BENZOXADIAZOL-4-YL)-1,4-DIHYDRO-2,6-DIMETHYL-, 3-(1-METHYLETHYL) ESTER
Preferred Name English
Code System Code Type Description
CAS
88977-30-4
Created by admin on Mon Mar 31 18:27:49 GMT 2025 , Edited by admin on Mon Mar 31 18:27:49 GMT 2025
PRIMARY
FDA UNII
21OX6T789B
Created by admin on Mon Mar 31 18:27:49 GMT 2025 , Edited by admin on Mon Mar 31 18:27:49 GMT 2025
PRIMARY
PUBCHEM
14519595
Created by admin on Mon Mar 31 18:27:49 GMT 2025 , Edited by admin on Mon Mar 31 18:27:49 GMT 2025
PRIMARY