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

Systemtic Name: (6,7-diphenyl-4-piperidin-1-yl-2-bicyclo[2.2.2]octanyl) pyridine-4-carboxylate Openeye Name: [6,7-diphenyl-4-(1-piperidyl)-2-bicyclo[2.2.2]octanyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [6,7-diphenyl-4-(1-piperidinyl)-2-bicyclo[2.2.2]octanyl] ester IUPAC Name: (6,7-diphenyl-4-piperidin-1-yl-2-bicyclo[2.2.2]octanyl) pyridine-4-carboxylate Traditional Name: isonicotinic acid (6,7-diphenyl-4-piperidino-2-bicyclo[2.2.2]octanyl) ester Formula: C31H34N2O2 MolecularWeight: 466.61386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C23CC(C(C(C2)C4=CC=CC=C4)C(C3)OC(=O)C5=CC=NC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)C23CC(C(C(C2)C4=CC=CC=C4)C(C3)OC(=O)C5=CC=NC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H34N2O2/c34-30(25-14-16-32-17-15-25)35-28-22-31(33-18-8-3-9-19-33)20-26(23-10-4-1-5-11-23)29(28)27(21-31)24-12-6-2-7-13-24/h1-2,4-7,10-17,26-29H,3,8-9,18-22H2