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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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