Basic information
- Standard SMILES
C#CC(O)c1c(C)noc1-c1ccc(-c2ccc(CCC(=O)OCC)cc2)cc1- InChIKey
YNRFMKDUYCUHJG-UHFFFAOYSA-N- Molecular formula
- C24H23NO4
- Average molar mass
- 389.4 g/mol
Names & identifiers
- Preferred name
- 3-{4'-[4-(1-Hydroxy-prop-2-ynyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-propionic acid ethyl ester
- IUPAC
- ethyl 3-[4-[4-[4-(1-hydroxyprop-2-ynyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]propanoate
Names & synonyms
SCHEMBL4272YNRFMKDUYCUHJG-UHFFFAOYSA-N3-{4'-[4-(1-Hydroxy-prop-2-ynyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 86679094
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 569
Related reactions
1 records
Compound notes
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