[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl] 2-phenylpropanoate

Systemtic Name: [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl] 2-phenylpropanoate Openeye Name: [(5-ethylquinuclidin-2-yl)-(4-quinolyl)methyl] 2-phenylpropanoate CAS Name: 2-phenylpropanoic acid [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(4-quinolinyl)methyl] ester IUPAC Name: [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl] 2-phenylpropanoate Traditional Name: 2-phenylpropionic acid [(5-ethylquinuclidin-2-yl)-(4-quinolyl)methyl] ester Formula: C28H32N2O2 MolecularWeight: 428.56588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)OC(=O)C(C)C5=CC=CC=C5

Isomeric SMILES

CCC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)OC(=O)C(C)C5=CC=CC=C5

InChI

InChI=1S/C28H32N2O2/c1-3-20-18-30-16-14-22(20)17-26(30)27(24-13-15-29-25-12-8-7-11-23(24)25)32-28(31)19(2)21-9-5-4-6-10-21/h4-13,15,19-20,22,26-27H,3,14,16-18H2,1-2H3