1-azabicyclo[2.2.2]octan-3-yl (E)-5-bromanyl-2-oxidanyl-2-phenyl-pent-4-enoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl (E)-5-bromanyl-2-oxidanyl-2-phenyl-pent-4-enoate Openeye Name: quinuclidin-3-yl (E)-5-bromanyl-2-hydroxy-2-phenyl-pent-4-enoate CAS Name: (E)-5-bromanyl-2-hydroxy-2-phenyl-4-pentenoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl (E)-5-bromanyl-2-hydroxy-2-phenylpent-4-enoate Traditional Name: (E)-5-bromanyl-2-hydroxy-2-phenyl-pent-4-enoic acid quinuclidin-3-yl ester Formula: C18H22BrNO3 MolecularWeight: 376.296722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(CC=CBr)(C3=CC=CC=C3)O

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(C/C=C/[76Br])(C3=CC=CC=C3)O

InChI

InChI=1S/C18H22BrNO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4+/i19-4