Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(Cc2ccc(Cl)cc2)cc1- InChIKey
SGDKTYBJBRMGIR-HXUWFJFHSA-N- Molecular formula
- C23H28ClNO3
- Average molar mass
- 401.9 g/mol
- Monoisotopic mass
- 401.1757714
Names & identifiers
- Preferred name
- (R)-2-[4-(4-Chloro-benzyl)-phenoxymethyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2R)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL4325249SGDKTYBJBRMGIR-HXUWFJFHSA-N(R)-2-[4-(4-Chloro-benzyl)-phenoxymethyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 44818992
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 491
Related reactions
2 records
Compound notes
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