1-azabicyclo[2.2.2]octan-3-yl (3E)-3-(pyridin-3-ylmethylidene)indene-1-carboxylate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl (3E)-3-(pyridin-3-ylmethylidene)indene-1-carboxylate Openeye Name: quinuclidin-3-yl (3E)-3-(3-pyridylmethylene)indene-1-carboxylate CAS Name: (3E)-3-(3-pyridinylmethylidene)-1-indenecarboxylic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl (3E)-3-(pyridin-3-ylmethylidene)indene-1-carboxylate Traditional Name: (3E)-3-(3-pyridylmethylene)indene-1-carboxylic acid quinuclidin-3-yl ester Formula: C23H22N2O2 MolecularWeight: 358.43298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C3=CC(=CC4=CN=CC=C4)C5=CC=CC=C53

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C3=C/C(=C\C4=CN=CC=C4)/C5=CC=CC=C53

InChI

InChI=1S/C23H22N2O2/c26-23(27-22-15-25-10-7-17(22)8-11-25)21-13-18(12-16-4-3-9-24-14-16)19-5-1-2-6-20(19)21/h1-6,9,12-14,17,22H,7-8,10-11,15H2/b18-12+