1-azabicyclo[2.2.2]octan-3-yl 2-(1-oxidanylcyclohexyl)-2-phenyl-ethanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(1-oxidanylcyclohexyl)-2-phenyl-ethanoate Openeye Name: quinuclidin-3-yl 2-(1-hydroxycyclohexyl)-2-phenyl-acetate CAS Name: 2-(1-hydroxycyclohexyl)-2-phenylacetic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(1-hydroxycyclohexyl)-2-phenylacetate Traditional Name: 2-(1-hydroxycyclohexyl)-2-phenyl-acetic acid quinuclidin-3-yl ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4)O

Isomeric SMILES

C1CCC(CC1)(C(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4)O

InChI

InChI=1S/C21H29NO3/c23-20(25-18-15-22-13-9-16(18)10-14-22)19(17-7-3-1-4-8-17)21(24)11-5-2-6-12-21/h1,3-4,7-8,16,18-19,24H,2,5-6,9-15H2