Basic information
- Standard SMILES
CC(C)(C)c1ccc(C=NOCCOc2ccc(C(=O)O)c(OCc3ccc(C(F)(F)F)cc3)c2)cc1- InChIKey
WDMKWAWYLUXOIV-UHFFFAOYSA-N- Molecular formula
- C28H28F3NO5
- Average molar mass
- 515.5 g/mol
Names & identifiers
- Preferred name
- 4-{2-[({[4-(tert-Butyl)phenyl]methylidene}amino)oxy]ethoxy}-2-{[4-(trifluoromethyl)benzyl]oxy}benzoic acid
- IUPAC
- 4-[2-[(4-tert-butylphenyl)methylideneamino]oxyethoxy]-2-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
Names & synonyms
4-{2-[({[4-(tert-Butyl)phenyl]methylidene}amino)oxy]ethoxy}-2-{[4-(trifluoromethyl)benzyl]oxy}benzoic acidSCHEMBL4830955
Database identifiers
- PubChem CID
- 72968076
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 722
Related reactions
1 records
Compound notes
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