Basic information
- Standard SMILES
CCCC(=O)Nc1cc(C(=O)OCC)cc(-c2ccccc2-c2cc(C(F)(F)F)ccc2OCc2ccccc2)c1- InChIKey
BQIDGNADABITSL-UHFFFAOYSA-N- Molecular formula
- C33H30F3NO4
- Average molar mass
- 561.6 g/mol
Names & identifiers
- Preferred name
- 2-Benzyloxy-5''-butyrylamino-5-trifluoromethyl[1,1';2',1'']terphenyl-3''-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-(butanoylamino)-5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]phenyl]benzoate
Names & synonyms
2-Benzyloxy-5''-butyrylamino-5-trifluoromethyl[1,1';2',1'']terphenyl-3''-carboxylic acid ethyl esterSCHEMBL50962872-Benzyloxy-5''-butyrylamino-5-trifluoromethyl-[1,1';2',1'']terphenyl-3''-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 58730983
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 830
Related reactions
1 records
Compound notes
Loading…