1-azabicyclo[2.2.2]octan-3-yl 2-(4-azidophenyl)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(4-azidophenyl)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: quinuclidin-3-yl 2-(4-azidophenyl)-2-hydroxy-2-phenyl-acetate CAS Name: 2-(4-azidophenyl)-2-hydroxy-2-phenylacetic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(4-azidophenyl)-2-hydroxy-2-phenylacetate Traditional Name: 2-(4-azidophenyl)-2-hydroxy-2-phenyl-acetic acid quinuclidin-3-yl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=C(C=C4)N=[N+]=[N-])O

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=C(C=C4)N=[N+]=[N-])O

InChI

InChI=1S/C21H22N4O3/c22-24-23-18-8-6-17(7-9-18)21(27,16-4-2-1-3-5-16)20(26)28-19-14-25-12-10-15(19)11-13-25/h1-9,15,19,27H,10-14H2