Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(Cc2ccccc2)cc1- InChIKey
FTYBTLUUSWEMRS-FQEVSTJZSA-N- Molecular formula
- C23H29NO3
- Average molar mass
- 367.5 g/mol
- Monoisotopic mass
- 367.21474379
Names & identifiers
- Preferred name
- (S)-2-(4-Benzyl-phenoxymethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2S)-2-[(4-benzylphenoxy)methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL4319616FTYBTLUUSWEMRS-FQEVSTJZSA-N(S)-2-(4-Benzyl-phenoxymethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 44819340
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 459
Related reactions
2 records
Compound notes
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