2,6-Dimethoxymethyl-4-(2'-trifluoromethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester

HCID 68120665
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Basic information

Standard SMILES
CCOC(=O)C1=C(COC)NC(COC)=C(C(=O)OCC)C1c1ccccc1C(F)(F)F
InChIKey
JYNZBIKWRSLIEQ-UHFFFAOYSA-N
Molecular formula
C22H26F3NO6
Average molar mass
457.4 g/mol

Names & identifiers

Preferred name
2,6-Dimethoxymethyl-4-(2'-trifluoromethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
IUPAC
diethyl 2,6-bis(methoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Names & synonyms

2,6-dimethoxymethyl-4-(2'-trifluoromethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl esterSCHEMBL11732555

Database identifiers

PubChem CID
68120665

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
83.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
11
Heavy atoms
32

Related reactions

3 records
New reaction record

Linked notes

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