2-ethynyl-4-(3-methoxy-4-oxidanyl-pyrrolidin-1-yl)-5-phenyl-2-(phenylmethyl)-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-4-(3-methoxy-4-oxidanyl-pyrrolidin-1-yl)-5-phenyl-2-(phenylmethyl)-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-4-(3-hydroxy-4-methoxy-pyrrolidin-1-yl)-5-phenyl-quinuclidin-3-ol CAS Name: 2-ethynyl-4-(3-hydroxy-4-methoxy-1-pyrrolidinyl)-5-phenyl-2-(phenylmethyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-4-(3-hydroxy-4-methoxypyrrolidin-1-yl)-5-phenyl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-4-(3-hydroxy-4-methoxy-pyrrolidino)-5-phenyl-quinuclidin-3-ol Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC1O)C23CCN(CC2C4=CC=CC=C4)C(C3O)(CC5=CC=CC=C5)C#C

Isomeric SMILES

COC1CN(CC1O)C23CCN(CC2C4=CC=CC=C4)C(C3O)(CC5=CC=CC=C5)C#C

InChI

InChI=1S/C27H32N2O3/c1-3-26(16-20-10-6-4-7-11-20)25(31)27(29-18-23(30)24(19-29)32-2)14-15-28(26)17-22(27)21-12-8-5-9-13-21/h1,4-13,22-25,30-31H,14-19H2,2H3