Basic information
- Standard SMILES
COC(=O)C(Cc1cccc(CCOC(=O)Nc2ccc(OC)cc2)c1)C(=O)OC- InChIKey
XVTDGTDVPTWHLV-UHFFFAOYSA-N- Molecular formula
- C22H25NO7
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 415.16310214
Names & identifiers
- Preferred name
- Dimethyl 2-(3-{2-[(4-methoxyanilinocarbonyl)-oxy]ethyl}benzyl)malonate
- IUPAC
- dimethyl 2-[[3-[2-[(4-methoxyphenyl)carbamoyloxy]ethyl]phenyl]methyl]propanedioate
Names & synonyms
SCHEMBL13810370XVTDGTDVPTWHLV-UHFFFAOYSA-NDimethyl 2-(3-{2-[(4-methoxyanilinocarbonyl)-oxy]ethyl}benzyl)malonate
Database identifiers
- PubChem CID
- 57719976
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 544
Related reactions
2 records
Compound notes
Loading…