1-azabicyclo[2.2.2]octan-3-yl 7-oxidanylidene-2-phenyl-azepane-2-carboxylate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 7-oxidanylidene-2-phenyl-azepane-2-carboxylate Openeye Name: quinuclidin-3-yl 7-oxo-2-phenyl-azepane-2-carboxylate CAS Name: 7-oxo-2-phenyl-2-azepanecarboxylic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 7-oxo-2-phenylazepane-2-carboxylate Traditional Name: 7-keto-2-phenyl-azepane-2-carboxylic acid quinuclidin-3-yl ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NC(=O)C1)(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4

Isomeric SMILES

C1CCC(NC(=O)C1)(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4

InChI

InChI=1S/C20H26N2O3/c23-18-8-4-5-11-20(21-18,16-6-2-1-3-7-16)19(24)25-17-14-22-12-9-15(17)10-13-22/h1-3,6-7,15,17H,4-5,8-14H2,(H,21,23)