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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26N2O7
Molecular Weight 418.4403
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-Methoxyethyl) 5-(1-methylethyl) 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate, (S)-

SMILES

COCCOC(=O)C1=C(C)NC(C)=C([C@H]1C2=CC=CC=C2[N+]([O-])=O)C(=O)OC(C)C

InChI

InChIKey=CXBWOMOGVHSUDS-IBGZPJMESA-N
InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-11-10-28-5)19(18)15-8-6-7-9-16(15)23(26)27/h6-9,12,19,22H,10-11H2,1-5H3/t19-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, 3-(2-methoxyethyl) 5-(1-methylethyl) ester, (4S)-
Preferred Name English
3-(2-Methoxyethyl) 5-(1-methylethyl) 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate, (S)-
Systematic Name English
3-(2-Methoxyethyl) 5-(1-methylethyl) (4S)-1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate
Systematic Name English
Code System Code Type Description
CAS
802971-77-3
Created by admin on Wed Apr 02 19:35:32 GMT 2025 , Edited by admin on Wed Apr 02 19:35:32 GMT 2025
PRIMARY
FDA UNII
7JGR5JQ6DU
Created by admin on Wed Apr 02 19:35:32 GMT 2025 , Edited by admin on Wed Apr 02 19:35:32 GMT 2025
PRIMARY
PUBCHEM
171390175
Created by admin on Wed Apr 02 19:35:32 GMT 2025 , Edited by admin on Wed Apr 02 19:35:32 GMT 2025
PRIMARY
NIH
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