Basic information
- Standard SMILES
C=CCC(CC=C)(COc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C)c1)c1ccc(C(=O)NCCC(=O)OC)cc1- InChIKey
PDQJAAIVBHTREB-UHFFFAOYSA-N- Molecular formula
- C34H36F3NO4
- Average molar mass
- 579.6 g/mol
Names & identifiers
- Preferred name
- 3-{4-[1-Allyl-1-(2,6-dimethyl-4'-trifluoromethyl-biphenyl-4-yloxymethyl)-but-3-enyl]-benzoylamino}-propionic acid methyl ester
- IUPAC
- methyl 3-[[4-[4-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]hepta-1,6-dien-4-yl]benzoyl]amino]propanoate
Names & synonyms
3-{4-[1-Allyl-1-(2,6-dimethyl-4'-trifluoromethyl-biphenyl-4-yloxymethyl)-but-3-enyl]-benzoylamino}-propionic acid methyl esterSCHEMBL2657761
Database identifiers
- PubChem CID
- 67486361
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 868
Related reactions
4 records
Compound notes
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