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

Systemtic Name: [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 4-nitrobenzoate Openeye Name: [(5-ethylquinuclidin-2-yl)-(6-methoxy-4-quinolyl)methyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methyl] ester IUPAC Name: [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(5-ethylquinuclidin-2-yl)-(6-methoxy-4-quinolyl)methyl] ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H29N3O5/c1-3-17-16-29-13-11-19(17)14-25(29)26(35-27(31)18-4-6-20(7-5-18)30(32)33)22-10-12-28-24-9-8-21(34-2)15-23(22)24/h4-10,12,15,17,19,25-26H,3,11,13-14,16H2,1-2H3