Basic information
- Standard SMILES
COC(=O)C=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C- InChIKey
BQXXUVKGRIBJHW-UHFFFAOYSA-N- Molecular formula
- C24H23NO5
- Average molar mass
- 405.4 g/mol
Names & identifiers
- Preferred name
- [Cyano-(3-phenoxyphenyl)methyl] 3-(3-methoxy-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
- IUPAC
- [cyano-(3-phenoxyphenyl)methyl] 3-(3-methoxy-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
Database identifiers
- PubChem CID
- 76060849
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 700
Related reactions
1 records
Compound notes
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