1-azabicyclo[2.2.2]octan-3-yl 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: quinuclidin-3-yl 2-(2,2-dimethyl-3H-benzofuran-7-yl)-2-hydroxy-2-phenyl-acetate CAS Name: 2-(2,2-dimethyl-3H-benzofuran-7-yl)-2-hydroxy-2-phenylacetic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-hydroxy-2-phenylacetate Traditional Name: 2-(2,2-dimethylcoumaran-7-yl)-2-hydroxy-2-phenyl-acetic acid quinuclidin-3-yl ester Formula: C25H29NO4 MolecularWeight: 407.50206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)C(C3=CC=CC=C3)(C(=O)OC4CN5CCC4CC5)O)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)C(C3=CC=CC=C3)(C(=O)OC4CN5CCC4CC5)O)C

InChI

InChI=1S/C25H29NO4/c1-24(2)15-18-7-6-10-20(22(18)30-24)25(28,19-8-4-3-5-9-19)23(27)29-21-16-26-13-11-17(21)12-14-26/h3-10,17,21,28H,11-16H2,1-2H3