Basic information
- Standard SMILES
CCOc1ccc(CC(C(=O)OC)C(=O)OC)cc1COC(=O)Nc1cccc(OC)c1- InChIKey
IBXWRFUNFGWZFU-UHFFFAOYSA-N- Molecular formula
- C23H27NO8
- Average molar mass
- 445.5 g/mol
Names & identifiers
- Preferred name
- Dimethyl 2-[4-ethoxy-3-({[(3-methoxyanilino)carbonyl]oxy}methyl)benzyl]malonate
- IUPAC
- dimethyl 2-[[4-ethoxy-3-[(3-methoxyphenyl)carbamoyloxymethyl]phenyl]methyl]propanedioate
Names & synonyms
SCHEMBL13810414IBXWRFUNFGWZFU-UHFFFAOYSA-NDimethyl 2-[4-ethoxy-3-({[(3-methoxyanilino)-carbonyl]oxy}methyl)benzyl]malonateDimethyl 2-[4-ethoxy-3-({[(3-methoxyanilino)carbonyl]oxy}methyl)benzyl]malonate
Database identifiers
- PubChem CID
- 57719590
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
- 597
Related reactions
2 records
Compound notes
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