(E)-(S)-2-ethoxy-3-{4-[3-(5'-isopropyl-2'-methoxy-biphenyl-4-yl)-but-2-enyloxy]-phenyl}-propionic acid
Basic information
- Standard SMILES
CCO[C@@H](Cc1ccc(OC/C=C(\C)c2ccc(-c3cc(C(C)C)ccc3OC)cc2)cc1)C(=O)O- InChIKey
LOERYORPRJDONH-RXEKUSEFSA-N- Molecular formula
- C31H36O5
- Average molar mass
- 488.6 g/mol
Names & identifiers
- Preferred name
- (E)-(S)-2-ethoxy-3-{4-[3-(5'-isopropyl-2'-methoxy-biphenyl-4-yl)-but-2-enyloxy]-phenyl}-propionic acid
- IUPAC
- (2S)-2-ethoxy-3-[4-[(E)-3-[4-(2-methoxy-5-propan-2-ylphenyl)phenyl]but-2-enoxy]phenyl]propanoic acid
Names & synonyms
SCHEMBL6496726LOERYORPRJDONH-RXEKUSEFSA-N(E)-(S)-2-ethoxy-3-{4-[3-(5'-isopropyl-2'-methoxy-biphenyl-4-yl)-but-2-enyloxy]-phenyl}-propionic acid
Database identifiers
- PubChem CID
- 69801233
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 672
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Related reactions
2 records
Compound notes
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