Dimethyl 2-{4-ethoxy-3-[({[4-(trifluoromethyl)anilino]carbonyl}oxy)-methyl]benzyl}malonate

HCID 57719836
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Basic information

Standard SMILES
CCOc1ccc(CC(C(=O)OC)C(=O)OC)cc1COC(=O)Nc1ccc(C(F)(F)F)cc1
InChIKey
POGJCAZABKEZQP-UHFFFAOYSA-N
Molecular formula
C23H24F3NO7
Average molar mass
483.4 g/mol
Monoisotopic mass
483.15048659

Names & identifiers

Preferred name
Dimethyl 2-{4-ethoxy-3-[({[4-(trifluoromethyl)anilino]carbonyl}oxy)-methyl]benzyl}malonate
IUPAC
dimethyl 2-[[4-ethoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyloxymethyl]phenyl]methyl]propanedioate

Names & synonyms

Dimethyl 2-{4-ethoxy-3-[({[4-(trifluoromethyl)anilino]carbonyl}oxy)-methyl]benzyl}malonateSCHEMBL13810423Dimethyl 2-{4-ethoxy-3-[({[4-(trifluoromethyl)anilino]carbonyl}oxy)methyl]benzyl)malonate

Database identifiers

PubChem CID
57719836

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
100 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
12
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

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