Basic information
- Standard SMILES
CC(OC(=O)CCOc1ccccc1N(C)C(=O)c1ccc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)c1)OC(=O)OC1CCCCC1- InChIKey
CTKIAOPHZYRBRB-UHFFFAOYSA-N- Molecular formula
- C33H31ClF3N3O7
- Average molar mass
- 674.1 g/mol
Names & identifiers
- Preferred name
- 3-(2-{[4-Chloro-3-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-benzoyl]-methyl-amino}-phenoxy)-propionic acid 1-cyclohexyloxycarbonyloxy-ethyl ester
- IUPAC
- 1-cyclohexyloxycarbonyloxyethyl 3-[2-[[4-chloro-3-[4-cyano-6-(trifluoromethyl)-3-pyridinyl]benzoyl]-methylamino]phenoxy]propanoate
Names & synonyms
3-(2-{[4-Chloro-3-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-benzoyl]-methyl-amino}-phenoxy)-propionic acid 1-cyclohexyloxycarbonyloxy-ethyl esterSCHEMBL3338302SCHEMBL31683687
Database identifiers
- PubChem CID
- 59370331
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
5 records
Compound notes
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