[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 4-hexoxybenzoate

Systemtic Name: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 4-hexoxybenzoate Openeye Name: [(6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methyl] ester IUPAC Name: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [(6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methyl] ester Formula: C33H40N2O4 MolecularWeight: 528.6817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC(C2CC3CCN2CC3C=C)C4=C5C=C(C=CC5=NC=C4)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC(C2CC3CCN2CC3C=C)C4=C5C=C(C=CC5=NC=C4)OC

InChI

InChI=1S/C33H40N2O4/c1-4-6-7-8-19-38-26-11-9-24(10-12-26)33(36)39-32(31-20-25-16-18-35(31)22-23(25)5-2)28-15-17-34-30-14-13-27(37-3)21-29(28)30/h5,9-15,17,21,23,25,31-32H,2,4,6-8,16,18-20,22H2,1,3H3