Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C2C=C(c3ccc(Oc4ccccn4)cc3)CC1CC2- InChIKey
SBVRRXULJVTFHE-UHFFFAOYSA-N- Molecular formula
- C23H26N2O3
- Average molar mass
- 378.5 g/mol
Names & identifiers
- Preferred name
- 3-[4-(Pyridin-2-yl-oxy)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(4-pyridin-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
Names & synonyms
SCHEMBL2448397SCHEMBL2448402SBVRRXULJVTFHE-UHFFFAOYSA-N3-[4-(pyridin-2-yl-oxy)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67412498
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 589
Related reactions
2 records
Compound notes
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