[4-(2-phenylethynyl)phenyl] 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate

Systemtic Name: [4-(2-phenylethynyl)phenyl] 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate Openeye Name: [4-(2-phenylethynyl)phenyl] 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate CAS Name: 1,4-diazabicyclo[3.2.2]nonane-4-carboxylic acid [4-(2-phenylethynyl)phenyl] ester IUPAC Name: [4-(2-phenylethynyl)phenyl] 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate Traditional Name: 1,4-diazabicyclo[3.2.2]nonane-4-carboxylic acid [4-(2-phenylethynyl)phenyl] ester Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1N(CC2)C(=O)OC3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN2CCC1N(CC2)C(=O)OC3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O2/c25-22(24-17-16-23-14-12-20(24)13-15-23)26-21-10-8-19(9-11-21)7-6-18-4-2-1-3-5-18/h1-5,8-11,20H,12-17H2