Basic information
- Standard SMILES
CCOc1ccc(CC(C(=O)OC)C(=O)OC)cc1COC(=O)Nc1cccc(Cl)c1- InChIKey
RMGORYKBSHDGCI-UHFFFAOYSA-N- Molecular formula
- C22H24ClNO7
- Average molar mass
- 449.9 g/mol
- Monoisotopic mass
- 449.1241298
Names & identifiers
- Preferred name
- Dimethyl 2-[3-({[(3-chloroanilino)carbonyl]oxy}methyl)-4-ethoxybenzyl]malonate
- IUPAC
- dimethyl 2-[[3-[(3-chlorophenyl)carbamoyloxymethyl]-4-ethoxyphenyl]methyl]propanedioate
Names & synonyms
SCHEMBL13810424RMGORYKBSHDGCI-UHFFFAOYSA-NDimethyl 2-[3-({[(3-chloroanilino)carbonyl]oxy}-methyl)-4-ethoxybenzyl]malonateDimethyl 2-[3-({[(3-chloroanilino)carbonyl]oxy}methyl)-4-ethoxybenzyl]malonate
Database identifiers
- PubChem CID
- 57719439
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 586
Related reactions
2 records
Compound notes
Loading…