Basic information
- Standard SMILES
CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(F)cc2)n1)c1ccc2ccccc2c1- InChIKey
CXSSKNYZDHBBMC-UHFFFAOYSA-N- Molecular formula
- C28H23FN2O3
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.16927076
Names & identifiers
- Preferred name
- Cyano[6-(4-fluorophenoxy)-2-pyridyl]methyl 2-(2-naphthyl)-3-methylbutanoate
- IUPAC
- [cyano-[6-(4-fluorophenoxy)-2-pyridinyl]methyl] 3-methyl-2-naphthalen-2-ylbutanoate
Names & synonyms
SCHEMBL11480465CXSSKNYZDHBBMC-UHFFFAOYSA-Ncyano[6-(4-fluorophenoxy)-2-pyridyl]methyl 2-(2-naphthyl)-3-methylbutanoate
Database identifiers
- PubChem CID
- 53745772
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 714
Related reactions
1 records
Compound notes
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