1-azabicyclo[2.2.2]octan-3-yl 2-(3-bromophenyl)-4-methoxy-2-oxidanyl-butanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(3-bromophenyl)-4-methoxy-2-oxidanyl-butanoate Openeye Name: quinuclidin-3-yl 2-(3-bromophenyl)-2-hydroxy-4-methoxy-butanoate CAS Name: 2-(3-bromophenyl)-2-hydroxy-4-methoxybutanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(3-bromophenyl)-2-hydroxy-4-methoxybutanoate Traditional Name: 2-(3-bromophenyl)-2-hydroxy-4-methoxy-butyric acid quinuclidin-3-yl ester Formula: C18H24BrNO4 MolecularWeight: 398.29146

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(C1=CC(=CC=C1)Br)(C(=O)OC2CN3CCC2CC3)O

Isomeric SMILES

COCCC(C1=CC(=CC=C1)Br)(C(=O)OC2CN3CCC2CC3)O

InChI

InChI=1S/C18H24BrNO4/c1-23-10-7-18(22,14-3-2-4-15(19)11-14)17(21)24-16-12-20-8-5-13(16)6-9-20/h2-4,11,13,16,22H,5-10,12H2,1H3