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

Systemtic Name: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-5-methyl-2-oxidanyl-hex-3-ynoate Openeye Name: (2-methylquinuclidin-3-yl) 2-cyclopentyl-2-hydroxy-5-methyl-hex-3-ynoate CAS Name: 2-cyclopentyl-2-hydroxy-5-methyl-3-hexynoic acid (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-2-hydroxy-5-methylhex-3-ynoate Traditional Name: 2-cyclopentyl-2-hydroxy-5-methyl-hex-3-ynoic acid (2-methylquinuclidin-3-yl) ester Formula: C20H31NO3 MolecularWeight: 333.46504

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)OC(=O)C(C#CC(C)C)(C3CCCC3)O

Isomeric SMILES

CC1C(C2CCN1CC2)OC(=O)C(C#CC(C)C)(C3CCCC3)O

InChI

InChI=1S/C20H31NO3/c1-14(2)8-11-20(23,17-6-4-5-7-17)19(22)24-18-15(3)21-12-9-16(18)10-13-21/h14-18,23H,4-7,9-10,12-13H2,1-3H3