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

Systemtic Name: [(5-ethenyl-5-methyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] benzoate Openeye Name: [(6-methoxy-4-quinolyl)-(5-methyl-5-vinyl-quinuclidin-2-yl)methyl] benzoate CAS Name: benzoic acid [(5-ethenyl-5-methyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methyl] ester IUPAC Name: [(5-ethenyl-5-methyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] benzoate Traditional Name: benzoic acid [(6-methoxy-4-quinolyl)-(5-methyl-5-vinyl-quinuclidin-2-yl)methyl] ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)C5=CC=CC=C5)C=C

Isomeric SMILES

CC1(CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)C5=CC=CC=C5)C=C

InChI

InChI=1S/C28H30N2O3/c1-4-28(2)18-30-15-13-20(28)16-25(30)26(33-27(31)19-8-6-5-7-9-19)22-12-14-29-24-11-10-21(32-3)17-23(22)24/h4-12,14,17,20,25-26H,1,13,15-16,18H2,2-3H3