[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl] 4-hexoxybenzoate

Systemtic Name: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl] 4-hexoxybenzoate Openeye Name: [4-quinolyl-(5-vinylquinuclidin-2-yl)methyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(4-quinolinyl)methyl] ester IUPAC Name: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [4-quinolyl-(5-vinylquinuclidin-2-yl)methyl] ester Formula: C32H38N2O3 MolecularWeight: 498.65572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC(C2CC3CCN2CC3C=C)C4=CC=NC5=CC=CC=C45

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC(C2CC3CCN2CC3C=C)C4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C32H38N2O3/c1-3-5-6-9-20-36-26-14-12-24(13-15-26)32(35)37-31(28-16-18-33-29-11-8-7-10-27(28)29)30-21-25-17-19-34(30)22-23(25)4-2/h4,7-8,10-16,18,23,25,30-31H,2-3,5-6,9,17,19-22H2,1H3