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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl (E)-2-cyclopentyl-5-methyl-2-oxidanyl-hex-3-enoate Openeye Name: quinuclidin-3-yl (E)-2-cyclopentyl-2-hydroxy-5-methyl-hex-3-enoate CAS Name: (E)-2-cyclopentyl-2-hydroxy-5-methyl-3-hexenoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl (E)-2-cyclopentyl-2-hydroxy-5-methylhex-3-enoate Traditional Name: (E)-2-cyclopentyl-2-hydroxy-5-methyl-hex-3-enoic acid quinuclidin-3-yl ester Formula: C19H31NO3 MolecularWeight: 321.45434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O

Isomeric SMILES

CC(C)/C=C/C(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O

InChI

InChI=1S/C19H31NO3/c1-14(2)7-10-19(22,16-5-3-4-6-16)18(21)23-17-13-20-11-8-15(17)9-12-20/h7,10,14-17,22H,3-6,8-9,11-13H2,1-2H3/b10-7+