Basic information
- Standard SMILES
COC(=O)c1ccc(CN(C)C[C@H]2CCCN2Cc2ccc(Oc3ccc(Br)cc3)cc2)cc1- InChIKey
BMSWQZWJXKKFRC-RUZDIDTESA-N- Molecular formula
- C28H31BrN2O3
- Average molar mass
- 523.5 g/mol
Names & identifiers
- Preferred name
- methyl 4-[[[[(R)-1-[[4-(4-bromophenoxy)phenyl]methyl]-2-pyrrolidinyl]methyl]methylamino]methyl]benzoate
- IUPAC
- methyl 4-[[[(2R)-1-[[4-(4-bromophenoxy)phenyl]methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]benzoate
Names & synonyms
SCHEMBL3038988BMSWQZWJXKKFRC-RUZDIDTESA-Nmethyl 4-[[[[(R)-1-[[4-(4-bromophenoxy)phenyl]methyl]-2-pyrrolidinyl]methyl]methylamino]methyl]benzoate
Database identifiers
- PubChem CID
- 68488973
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 611
Related reactions
3 records
Compound notes
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