Basic information
- Standard SMILES
CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C(O)COCc4cccc(C(F)(F)F)c4)cc3)cc2)CC1- InChIKey
CADFZGCUESKKDJ-UHFFFAOYSA-N- Molecular formula
- C32H30F3NO5
- Average molar mass
- 565.6 g/mol
- Monoisotopic mass
- 565.20760754
Names & identifiers
- Preferred name
- 1-(4'-{4-[1-Hydroxy-2-(3-trifluoromethyl-benzyloxy)-ethyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl ester
- IUPAC
- ethyl 1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
Names & synonyms
1-(4'-{4-[1-Hydroxy-2-(3-trifluoromethyl-benzyloxy)-ethyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl esterSCHEMBL22311-(4'-{-4-[1-Hydroxy-2-(3-trifluoromethyl-benzyloxy)-ethyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 66577430
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 851
Related reactions
3 records
Compound notes
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