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

Systemtic Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1R)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; decanedioic acid Openeye Name: decanedioic acid; [(3R)-quinuclidin-3-yl] (1R)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: decanedioic acid; (1R)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1R)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; decanedioic acid Traditional Name: (1R)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-quinuclidin-3-yl] ester; sebacic acid Formula: C33H44N2O6 MolecularWeight: 564.71226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5.C(CCCCC(=O)O)CCCC(=O)O

Isomeric SMILES

C1CN2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@H]3C5=CC=CC=C5.C(CCCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C23H26N2O2.C10H18O4/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-9,18,21-22H,10-16H2;1-8H2,(H,11,12)(H,13,14)/t21-,22+;/m0./s1