Basic information
- Standard SMILES
CCN(/C=C/C(=O)c1ccc(OC)cc1OCc1ccccc1C(=O)OC)CC- InChIKey
HUWVMUZUSSRPCJ-BUHFOSPRSA-N- Molecular formula
- C23H27NO5
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.18892296
Names & identifiers
- Preferred name
- (e)-Methyl 2-[[2-[3-(diethylamino)-1-oxo-2-propenyl]-5-methoxyphenoxy]methyl]benzoate
- IUPAC
- methyl 2-[[2-[(E)-3-(diethylamino)prop-2-enoyl]-5-methoxyphenoxy]methyl]benzoate
Names & synonyms
SCHEMBL7157331HUWVMUZUSSRPCJ-BUHFOSPRSA-N(e)-methyl 2-[[2-[3-(diethylamino)-1-oxo-2-propenyl]-5-methoxyphenoxy]methyl]benzoate
Database identifiers
- PubChem CID
- 11058397
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 545
Related reactions
2 records
Compound notes
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