Basic information
- Standard SMILES
CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1- InChIKey
VDGLAELDDQFBLJ-RBUKOAKNSA-N- Molecular formula
- C20H23NO2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.17287898
Names & identifiers
- Preferred name
- trans-Ethyl 1-benzyl-4-phenylpyrrolidine-3-carboxylate
- IUPAC
- ethyl (3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylate
Names & synonyms
80896-61-3TRANS-ETHYL 1-BENZYL-4-PHENYLPYRROLIDINE-3-CARBOXYLATESCHEMBL7887604ethyl (3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylateYQF4759VDGLAELDDQFBLJ-RBUKOAKNSA-NDB-372125trans-ethyl-1-benzyl-4-phenylpyrrolidine-3-carboxylate
Database identifiers
- PubChem CID
- 12922288
- Nikkaji
- J3.124.730F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 372
Related reactions
2 records
Compound notes
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