1-azabicyclo[2.2.2]octan-3-yl 1-(furan-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 1-(furan-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: quinuclidin-3-yl 1-(3-furyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(3-furanyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 1-(furan-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(3-furyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid quinuclidin-3-yl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=COC=C5

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=COC=C5

InChI

InChI=1S/C21H24N2O3/c24-21(26-19-13-22-9-5-16(19)6-10-22)23-11-7-15-3-1-2-4-18(15)20(23)17-8-12-25-14-17/h1-4,8,12,14,16,19-20H,5-7,9-11,13H2