Dimethyl 2-[3-({[(2,4-dichloroanilino)carbonyl]oxy}methyl)-4-ethoxybenzyl]malonate

HCID 57719576
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Basic information

Standard SMILES
CCOc1ccc(CC(C(=O)OC)C(=O)OC)cc1COC(=O)Nc1ccc(Cl)cc1Cl
InChIKey
DVASDXWEGVEUCN-UHFFFAOYSA-N
Molecular formula
C22H23Cl2NO7
Average molar mass
484.3 g/mol
Monoisotopic mass
483.0851575

Names & identifiers

Preferred name
Dimethyl 2-[3-({[(2,4-dichloroanilino)carbonyl]oxy}methyl)-4-ethoxybenzyl]malonate
IUPAC
dimethyl 2-[[3-[(2,4-dichlorophenyl)carbamoyloxymethyl]-4-ethoxyphenyl]methyl]propanedioate

Names & synonyms

SCHEMBL13810416DVASDXWEGVEUCN-UHFFFAOYSA-NDimethyl 2-[3-({[(2,4-dichloroanilino)carbonyl]-oxy}methyl)-4-ethoxybenzyl]malonateDimethyl 2-[3-({[(2,4-dichloroanilino)carbonyl]oxy}methyl)-4-ethoxybenzyl]malonate

Database identifiers

PubChem CID
57719576

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
100 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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