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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: quinuclidin-3-yl 1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(4-chlorophenyl)-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-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid quinuclidin-3-yl ester Formula: C23H25ClN2O2 MolecularWeight: 396.9098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H25ClN2O2/c24-19-7-5-18(6-8-19)22-20-4-2-1-3-16(20)11-14-26(22)23(27)28-21-15-25-12-9-17(21)10-13-25/h1-8,17,21-22H,9-15H2