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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: quinuclidin-3-yl 1-(p-tolyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(4-methylphenyl)-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-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(p-tolyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid quinuclidin-3-yl ester Formula: C24H28N2O2 MolecularWeight: 376.49132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=CC=CC=C3CCN2C(=O)OC4CN5CCC4CC5

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=CC=CC=C3CCN2C(=O)OC4CN5CCC4CC5

InChI

InChI=1S/C24H28N2O2/c1-17-6-8-20(9-7-17)23-21-5-3-2-4-18(21)12-15-26(23)24(27)28-22-16-25-13-10-19(22)11-14-25/h2-9,19,22-23H,10-16H2,1H3