Basic information
- Standard SMILES
CCOc1ccc(CC(C(=O)OC)C(=O)OC)cc1COC(=O)Nc1ccc(OC)cc1- InChIKey
DZFFCUZRXXNEPW-UHFFFAOYSA-N- Molecular formula
- C23H27NO8
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.17366682
Names & identifiers
- Preferred name
- Dimethyl 2-[4-ethoxy-3-({[(4-methoxyanilino)carbonyl]oxy}methyl)benzyl]malonate
- IUPAC
- dimethyl 2-[[4-ethoxy-3-[(4-methoxyphenyl)carbamoyloxymethyl]phenyl]methyl]propanedioate
Names & synonyms
SCHEMBL13810412DZFFCUZRXXNEPW-UHFFFAOYSA-NDimethyl 2-[4-ethoxy-3-({[(4-methoxyanilino)-carbonyl]oxy}methyl)benzyl]malonateDimethyl 2-[4-ethoxy-3-({[(4-methoxyanilino)carbonyl]oxy}methyl)benzyl]malonate
Database identifiers
- PubChem CID
- 57719745
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 589
Related reactions
2 records
Compound notes
Loading…