Basic information
- Standard SMILES
COC(=O)C(Cc1cccc(CCOC(=O)Nc2ccc(C)cc2)c1)C(=O)OC- InChIKey
YUXLGOSMVHGXNH-UHFFFAOYSA-N- Molecular formula
- C22H25NO6
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.16818752
Names & identifiers
- Preferred name
- Dimethyl 2-(3-{2-[(4-toluidinocarbonyl)oxy]ethyl}benzyl)malonate
- IUPAC
- dimethyl 2-[[3-[2-[(4-methylphenyl)carbamoyloxy]ethyl]phenyl]methyl]propanedioate
Names & synonyms
SCHEMBL13810365YUXLGOSMVHGXNH-UHFFFAOYSA-NDimethyl 2-(3-{2-[(4-toluidinocarbonyl)oxy]-ethyl}benzyl)malonateDimethyl 2-(3-{2-[(4-toluidinocarbonyl)oxy]ethyl}benzyl)malonate
Database identifiers
- PubChem CID
- 57719522
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 527
Related reactions
2 records
Compound notes
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