Tropan-3-alpha-yl-10,11-dihydro-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate

HCID 214745

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 34137-61-6
Standard SMILES: CN1[C@@H]2CC[C@H]1CC(OC(=O)C1c3ccccc3CCc3ncccc31)C2
InChIKey: CXVIMBRBTBDLHU-RPIYSHSISA-N
Molecular formula: C23H26N2O2
Average molar mass: 362.5 g/mol
Monoisotopic mass: 362.19942808

Names & identifiers

Preferred name: Tropan-3-alpha-yl-10,11-dihydro-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate
IUPAC: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate

Names & synonyms

Tropan-3-alpha-yl-10,11-dihydro-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate34137-61-61-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 10,11-dihydro-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate (ester)

Database identifiers

CAS: 34137-61-6
PubChem CID: 214745

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 538

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…