1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-3-methyl-2-oxidanyl-but-3-enoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-3-methyl-2-oxidanyl-but-3-enoate Openeye Name: quinuclidin-3-yl 2-cyclopentyl-2-hydroxy-3-methyl-but-3-enoate CAS Name: 2-cyclopentyl-2-hydroxy-3-methyl-3-butenoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxy-3-methylbut-3-enoate Traditional Name: 2-cyclopentyl-2-hydroxy-3-methyl-but-3-enoic acid quinuclidin-3-yl ester Formula: C17H27NO3 MolecularWeight: 293.40118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO3/c1-12(2)17(20,14-5-3-4-6-14)16(19)21-15-11-18-9-7-13(15)8-10-18/h13-15,20H,1,3-11H2,2H3