(6,7-diphenyl-4-pyrrolidin-1-yl-2-bicyclo[2.2.2]octanyl) pyridine-3-carboxylate

Systemtic Name: (6,7-diphenyl-4-pyrrolidin-1-yl-2-bicyclo[2.2.2]octanyl) pyridine-3-carboxylate Openeye Name: (6,7-diphenyl-4-pyrrolidin-1-yl-2-bicyclo[2.2.2]octanyl) pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [6,7-diphenyl-4-(1-pyrrolidinyl)-2-bicyclo[2.2.2]octanyl] ester IUPAC Name: (6,7-diphenyl-4-pyrrolidin-1-yl-2-bicyclo[2.2.2]octanyl) pyridine-3-carboxylate Traditional Name: nicotinic acid (6,7-diphenyl-4-pyrrolidino-2-bicyclo[2.2.2]octanyl) ester Formula: C30H32N2O2 MolecularWeight: 452.58728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C23CC(C(C(C2)C4=CC=CC=C4)C(C3)OC(=O)C5=CN=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)C23CC(C(C(C2)C4=CC=CC=C4)C(C3)OC(=O)C5=CN=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H32N2O2/c33-29(24-14-9-15-31-21-24)34-27-20-30(32-16-7-8-17-32)18-25(22-10-3-1-4-11-22)28(27)26(19-30)23-12-5-2-6-13-23/h1-6,9-15,21,25-28H,7-8,16-20H2