Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)c1ccc(Br)c2ccccc12- InChIKey
SXKXEKHUUDCBTE-UHFFFAOYSA-N- Molecular formula
- C22H24BrNO5
- Average molar mass
- 462.3 g/mol
Names & identifiers
- Preferred name
- Pyrrolidine-1,2-dicarboxylic acid 2-[2-(4-bromonaphthalen-1-yl)-2-oxo-ethyl]ester 1-tert-butyl ester
- IUPAC
- 2-O-[2-(4-bromonaphthalen-1-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate
Names & synonyms
SCHEMBL203393SXKXEKHUUDCBTE-UHFFFAOYSA-Npyrrolidine-1,2-dicarboxylic acid 2-[2-(4-bromonaphthalen-1-yl)-2-oxo-ethyl]ester 1-tert-butyl ester
Database identifiers
- PubChem CID
- 66620178
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 631
Related reactions
6 records
Compound notes
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