1-azabicyclo[2.2.2]octan-3-yl (E)-5-methyl-2-oxidanyl-2-phenyl-hex-3-enoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl (E)-5-methyl-2-oxidanyl-2-phenyl-hex-3-enoate Openeye Name: quinuclidin-3-yl (E)-2-hydroxy-5-methyl-2-phenyl-hex-3-enoate CAS Name: (E)-2-hydroxy-5-methyl-2-phenyl-3-hexenoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-5-methyl-2-phenylhex-3-enoate Traditional Name: (E)-2-hydroxy-5-methyl-2-phenyl-hex-3-enoic acid quinuclidin-3-yl ester Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO3/c1-15(2)8-11-20(23,17-6-4-3-5-7-17)19(22)24-18-14-21-12-9-16(18)10-13-21/h3-8,11,15-16,18,23H,9-10,12-14H2,1-2H3/b11-8+