Basic information
- Standard SMILES
CCOC(=O)c1cccc(-c2ccccc2-c2cc(Cl)cnc2OCc2ccccc2)c1- InChIKey
RMBYMRSXLONSPJ-UHFFFAOYSA-N- Molecular formula
- C27H22ClNO3
- Average molar mass
- 443.9 g/mol
Names & identifiers
- Preferred name
- 2'-{5-Chloro-2-(benzyloxy)-3-pyridinyl]-3-biphenylcarboxylic acid ethyl ester
- IUPAC
- ethyl 3-[2-(5-chloro-2-phenylmethoxy-3-pyridinyl)phenyl]benzoate
Names & synonyms
SCHEMBL5096018RMBYMRSXLONSPJ-UHFFFAOYSA-N2'-{5-Chloro-2-(benzyloxy)-3-pyridinyl]-3-biphenylcarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 58730984
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 581
Related reactions
1 records
Compound notes
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