1,4-Dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylic acid diethyl ester

HCID 168089

Completing data — usually done within a minute

Basic information

CAS
23191-75-5
Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1C(F)(F)F
InChIKey
ACZJZGLXRPZSLI-UHFFFAOYSA-N
Molecular formula
C20H22F3NO4
Average molar mass
397.4 g/mol
Monoisotopic mass
397.15009284

Names & identifiers

Preferred name
1,4-Dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylic acid diethyl ester
IUPAC
diethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Names & synonyms

1,4-Dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylic acid diethyl esterRefChem:9069742,6-dimethyl-3,5-dicarbethoxy-4-(trifluoromethylphenyl)-1,4-dihydropyridineFtorin23191-75-54-(2-Trifluoromethylphenyl)-3,5-dicarbethoxy-2,6-dimethyl-1,4-dihydropyridineSKF 24260SK&F 24260diethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylateV2DA3S07WI3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-, diethyl esterFtorin (pharmaceutical)
Show more names
3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,5-pyridinedicarboxylatediethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-3,5-pyridinedicarboxylateBRN 0500244SKF-24260UNII-V2DA3S07WI2,6-Dimethyl-3,5-dicarbomethoxy-4-(o-trifluoromethylphenyl)-1,4-dihydropyridine [French]CHEMBL346128SCHEMBL7431826

Database identifiers

CAS
23191-75-5
PubChem CID
168089
DTXSID
DTXSID00177766
ChEMBL
CHEMBL346128
UNII
V2DA3S07WI
Nikkaji
J23.571G

Properties

Computed structural propertiesFilling in

XLogP
4.2
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
28

Related reactions

16 records

Compound notes

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