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

Systemtic Name: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl] 4-(4-decoxyphenyl)benzoate Openeye Name: [4-quinolyl-(5-vinylquinuclidin-2-yl)methyl] 4-(4-decoxyphenyl)benzoate CAS Name: 4-(4-decoxyphenyl)benzoic 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-(4-decoxyphenyl)benzoate Traditional Name: 4-(4-decoxyphenyl)benzoic acid [4-quinolyl-(5-vinylquinuclidin-2-yl)methyl] ester Formula: C42H50N2O3 MolecularWeight: 630.858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C3CC4CCN3CC4C=C)C5=CC=NC6=CC=CC=C56

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C3CC4CCN3CC4C=C)C5=CC=NC6=CC=CC=C56

InChI

InChI=1S/C42H50N2O3/c1-3-5-6-7-8-9-10-13-28-46-36-22-20-33(21-23-36)32-16-18-34(19-17-32)42(45)47-41(38-24-26-43-39-15-12-11-14-37(38)39)40-29-35-25-27-44(40)30-31(35)4-2/h4,11-12,14-24,26,31,35,40-41H,2-3,5-10,13,25,27-30H2,1H3