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

Systemtic Name: 1-[3-(1-azabicyclo[2.2.2]octan-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 1-(3-quinuclidin-2-ylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[3-(1-azabicyclo[2.2.2]octan-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate IUPAC Name: 1-[3-(1-azabicyclo[2.2.2]octan-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(3-quinuclidin-2-ylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Formula: C23H25N2O2- MolecularWeight: 361.4568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1CC2C3=CC=CC(=C3)C4C5=CC=CC=C5CCN4C(=O)[O-]

Isomeric SMILES

C1CN2CCC1CC2C3=CC=CC(=C3)C4C5=CC=CC=C5CCN4C(=O)[O-]

InChI

InChI=1S/C23H26N2O2/c26-23(27)25-13-10-17-4-1-2-7-20(17)22(25)19-6-3-5-18(15-19)21-14-16-8-11-24(21)12-9-16/h1-7,15-16,21-22H,8-14H2,(H,26,27)/p-1