1-azabicyclo[2.2.2]octan-3-yl (3E)-3-(pyridin-4-ylmethylidene)indene-1-carboxylate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl (3E)-3-(pyridin-4-ylmethylidene)indene-1-carboxylate Openeye Name: quinuclidin-3-yl (3E)-3-(4-pyridylmethylene)indene-1-carboxylate CAS Name: (3E)-3-(pyridin-4-ylmethylidene)-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-4-ylmethylidene)indene-1-carboxylate Traditional Name: (3E)-3-(4-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=CC=NC=C4)C5=CC=CC=C53

Isomeric SMILES

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

InChI

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