Basic information
- Standard SMILES
CCOc1cc(CN2CCC(NC(=O)c3cccc(OC(C)(C)C(=O)O)c3)CC2)cc(OCC)c1F- InChIKey
CAHVOZUPXNCOPE-UHFFFAOYSA-N- Molecular formula
- C27H35FN2O6
- Average molar mass
- 502.6 g/mol
Names & identifiers
- Preferred name
- 2-{3-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-ylcarbamoyl]-phenoxy}-2-methyl-propionic acid
- IUPAC
- 2-[3-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]carbamoyl]phenoxy]-2-methylpropanoic acid
Names & synonyms
SCHEMBL2963841CAHVOZUPXNCOPE-UHFFFAOYSA-N2-{3-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-ylcarbamoyl]-phenoxy}-2-methyl-propionic acid
Database identifiers
- PubChem CID
- 68459097
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 698
Related reactions
2 records
Compound notes
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