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Basic information
- Standard SMILES
CCOC(=O)CC1(c2ccc(-c3ccc(-c4onc(C)c4C(O)C/C=C/c4ccc(Oc5ccccc5)cc4)cc3)cc2)CC1- InChIKey
YWGFLGVNBOEDQF-BQYQJAHWSA-N- Molecular formula
- C39H37NO5
- Average molar mass
- 599.7 g/mol
- Monoisotopic mass
- 599.26717328
Names & identifiers
- Preferred name
- [1-(4'-{4-[(E)-1-Hydroxy-4-(4-phenoxy-phenyl)-but-3-enyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropyl]-acetic acid ethyl ester
- IUPAC
- ethyl 2-[1-[4-[4-[4-[(E)-1-hydroxy-4-(4-phenoxyphenyl)but-3-enyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropyl]acetate
Names & synonyms
SCHEMBL4160YWGFLGVNBOEDQF-BQYQJAHWSA-N[1-(4'-{4-[(E)-1-Hydroxy-4-(4-phenoxy-phenyl)-but-3-enyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropyl]-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 66577643
Properties
Computed structural propertiesFilling in
- XLogP
- 8.4
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 935
Related reactions
1 records
Compound notes
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