Dimethyl 2-(3-{[(anilinocarbonyl)oxy]methyl}-4-ethoxybenzyl)malonate

HCID 57719425
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Basic information

Standard SMILES
CCOc1ccc(CC(C(=O)OC)C(=O)OC)cc1COC(=O)Nc1ccccc1
InChIKey
RXEBZZZGBJIOJT-UHFFFAOYSA-N
Molecular formula
C22H25NO7
Average molar mass
415.4 g/mol
Monoisotopic mass
415.16310214

Names & identifiers

Preferred name
Dimethyl 2-(3-{[(anilinocarbonyl)oxy]methyl}-4-ethoxybenzyl)malonate
IUPAC
dimethyl 2-[[4-ethoxy-3-(phenylcarbamoyloxymethyl)phenyl]methyl]propanedioate

Names & synonyms

SCHEMBL13810410RXEBZZZGBJIOJT-UHFFFAOYSA-NDimethyl 2-(3-{[(anilinocarbonyl)oxy]methyl}-4-ethoxybenzyl)malonate

Database identifiers

PubChem CID
57719425

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
100 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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