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

Systemtic Name: [4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-oxidanyl-methyl]quinolin-6-yl] benzoate Openeye Name: [4-[hydroxy-(5-vinylquinuclidin-2-yl)methyl]-6-quinolyl] benzoate CAS Name: benzoic acid [4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]-6-quinolinyl] ester IUPAC Name: [4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-yl] benzoate Traditional Name: benzoic acid [4-[hydroxy-(5-vinylquinuclidin-2-yl)methyl]-6-quinolyl] ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC(=O)C5=CC=CC=C5)O

Isomeric SMILES

C=CC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C26H26N2O3/c1-2-17-16-28-13-11-19(17)14-24(28)25(29)21-10-12-27-23-9-8-20(15-22(21)23)31-26(30)18-6-4-3-5-7-18/h2-10,12,15,17,19,24-25,29H,1,11,13-14,16H2