(rac.)-(1R*,5S*)-3-{4-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-phenyl}-8-methyl-8-aza-bicyclo[3.2.1]oct-2-ene-2-carboxylic Acid Methyl Ester
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)C1=C(c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C[C@@H]2CC[C@H]1N2C- InChIKey
KTRLZPXULNZEET-HTAPYJJXSA-N- Molecular formula
- C25H27Cl2NO4
- Average molar mass
- 476.4 g/mol
Names & identifiers
- Preferred name
- (rac.)-(1R*,5S*)-3-{4-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-phenyl}-8-methyl-8-aza-bicyclo[3.2.1]oct-2-ene-2-carboxylic Acid Methyl Ester
- IUPAC
- methyl (1R,5S)-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
Names & synonyms
KTRLZPXULNZEET-HTAPYJJXSA-N(rac.)-(1R*,5S*)-3-{4-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-phenyl}-8-methyl-8-aza-bicyclo[3.2.1]oct-2-ene-2-carboxylic Acid Methyl Ester
Database identifiers
- PubChem CID
- 91150596
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 681
Related reactions
1 records
Compound notes
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