[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl] (E)-3-phenylprop-2-enoate

Systemtic Name: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl] (E)-3-phenylprop-2-enoate Openeye Name: [4-quinolyl-(5-vinylquinuclidin-2-yl)methyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic 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] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [4-quinolyl-(5-vinylquinuclidin-2-yl)methyl] ester Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)OC(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)OC(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C28H28N2O2/c1-2-21-19-30-17-15-22(21)18-26(30)28(24-14-16-29-25-11-7-6-10-23(24)25)32-27(31)13-12-20-8-4-3-5-9-20/h2-14,16,21-22,26,28H,1,15,17-19H2/b13-12+