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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(2-bromophenyl)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: quinuclidin-3-yl 2-(2-bromophenyl)-2-hydroxy-2-phenyl-acetate CAS Name: 2-(2-bromophenyl)-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-(2-bromophenyl)-2-hydroxy-2-phenylacetate Traditional Name: 2-(2-bromophenyl)-2-hydroxy-2-phenyl-acetic acid quinuclidin-3-yl ester Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4Br)O

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4Br)O

InChI

InChI=1S/C21H22BrNO3/c22-18-9-5-4-8-17(18)21(25,16-6-2-1-3-7-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2