1-azabicyclo[2.2.2]octan-3-yl 2-methyl-3-oxidanyl-2-phenyl-propanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-methyl-3-oxidanyl-2-phenyl-propanoate Openeye Name: quinuclidin-3-yl 3-hydroxy-2-methyl-2-phenyl-propanoate CAS Name: 3-hydroxy-2-methyl-2-phenylpropanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2-methyl-2-phenylpropanoate Traditional Name: 3-hydroxy-2-methyl-2-phenyl-propionic acid quinuclidin-3-yl ester Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C1=CC=CC=C1)C(=O)OC2CN3CCC2CC3

Isomeric SMILES

CC(CO)(C1=CC=CC=C1)C(=O)OC2CN3CCC2CC3

InChI

InChI=1S/C17H23NO3/c1-17(12-19,14-5-3-2-4-6-14)16(20)21-15-11-18-9-7-13(15)8-10-18/h2-6,13,15,19H,7-12H2,1H3