1-azabicyclo[2.2.2]octan-2-ylmethyl 3-methyl-2-oxidanyl-2-phenyl-butanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-2-ylmethyl 3-methyl-2-oxidanyl-2-phenyl-butanoate Openeye Name: quinuclidin-2-ylmethyl 2-hydroxy-3-methyl-2-phenyl-butanoate CAS Name: 2-hydroxy-3-methyl-2-phenylbutanoic acid 1-azabicyclo[2.2.2]octan-2-ylmethyl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-2-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate Traditional Name: 2-hydroxy-3-methyl-2-phenyl-butyric acid quinuclidin-2-ylmethyl ester Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)(C(=O)OCC2CC3CCN2CC3)O

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)(C(=O)OCC2CC3CCN2CC3)O

InChI

InChI=1S/C19H27NO3/c1-14(2)19(22,16-6-4-3-5-7-16)18(21)23-13-17-12-15-8-10-20(17)11-9-15/h3-7,14-15,17,22H,8-13H2,1-2H3