Basic information
- Standard SMILES
CCOC(=O)C1(COc2ccc(-c3ccc(F)cc3)cc2)CCN(C(=O)c2ccc(OC)cc2)C1- InChIKey
NNKLJGCOIPRZQV-UHFFFAOYSA-N- Molecular formula
- C28H28FNO5
- Average molar mass
- 477.5 g/mol
Names & identifiers
- Preferred name
- 3-(4'-Fluoro-biphenyl-4-yloxymethyl)-1-(4-methoxy-benzoyl)-pyrrolidine-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-[[4-(4-fluorophenyl)phenoxy]methyl]-1-(4-methoxybenzoyl)pyrrolidine-3-carboxylate
Names & synonyms
SCHEMBL2434921NNKLJGCOIPRZQV-UHFFFAOYSA-N3-(4'-Fluoro-biphenyl-4-yloxymethyl)-1-(4-methoxy-benzoyl)-pyrrolidine-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 59322219
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 695
Related reactions
2 records
Compound notes
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