1-azabicyclo[2.2.2]octan-4-ylmethyl 5-(trifluoromethyloxymethyl)-1H-indole-3-carboxylate

Systemtic Name: 1-azabicyclo[2.2.2]octan-4-ylmethyl 5-(trifluoromethyloxymethyl)-1H-indole-3-carboxylate Openeye Name: quinuclidin-4-ylmethyl 5-(trifluoromethoxymethyl)-1H-indole-3-carboxylate CAS Name: 5-(trifluoromethoxymethyl)-1H-indole-3-carboxylic acid 1-azabicyclo[2.2.2]octan-4-ylmethyl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-4-ylmethyl 5-(trifluoromethoxymethyl)-1H-indole-3-carboxylate Traditional Name: 5-(trifluoromethoxymethyl)-1H-indole-3-carboxylic acid quinuclidin-4-ylmethyl ester Formula: C19H21F3N2O3 MolecularWeight: 382.37685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1(CC2)COC(=O)C3=CNC4=C3C=C(C=C4)COC(F)(F)F

Isomeric SMILES

C1CN2CCC1(CC2)COC(=O)C3=CNC4=C3C=C(C=C4)COC(F)(F)F

InChI

InChI=1S/C19H21F3N2O3/c20-19(21,22)27-11-13-1-2-16-14(9-13)15(10-23-16)17(25)26-12-18-3-6-24(7-4-18)8-5-18/h1-2,9-10,23H,3-8,11-12H2