Basic information
- Standard SMILES
COc1cc(OC)c(CN(OCc2ccccc2)C(=O)CC(=O)O)c(OC)c1- InChIKey
KRQUMNFFMPMKSY-UHFFFAOYSA-N- Molecular formula
- C20H23NO7
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.14745207
Names & identifiers
- Preferred name
- 3-[Benzyloxy(2,4,6-trimethoxybenzyl)amino]-3-oxopropanoic acid
- IUPAC
- 3-oxo-3-[phenylmethoxy-[(2,4,6-trimethoxyphenyl)methyl]amino]propanoic acid
Names & synonyms
SCHEMBL5956426KRQUMNFFMPMKSY-UHFFFAOYSA-N3-[benzyloxy(2,4,6-trimethoxybenzyl)amino]-3-oxopropanoic acid
Database identifiers
- PubChem CID
- 22494960
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 481
Related reactions
2 records
Compound notes
Loading…