Basic information
- Standard SMILES
COC(=O)c1ccc(OC(=O)N2CC(CO)C(c3ccccc3)C2)cc1- InChIKey
YQXKQRQCZSZAGO-UHFFFAOYSA-N- Molecular formula
- C20H21NO5
- Average molar mass
- 355.4 g/mol
Names & identifiers
- Preferred name
- (4-Methoxycarbonylphenyl) 3-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate
- IUPAC
- (4-methoxycarbonylphenyl) 3-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL27725167
Database identifiers
- PubChem CID
- 174554951
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 483
Related reactions
2 records
Compound notes
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