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

Systemtic Name: [4-(dimethylamino)-6,7-diphenyl-2-bicyclo[2.2.2]octanyl] pyridine-3-carboxylate Openeye Name: [4-(dimethylamino)-6,7-diphenyl-2-bicyclo[2.2.2]octanyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-(dimethylamino)-6,7-diphenyl-2-bicyclo[2.2.2]octanyl] ester IUPAC Name: [4-(dimethylamino)-6,7-diphenyl-2-bicyclo[2.2.2]octanyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-(dimethylamino)-6,7-diphenyl-2-bicyclo[2.2.2]octanyl] ester Formula: C28H30N2O2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C12CC(C(C(C1)C3=CC=CC=C3)C(C2)OC(=O)C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN(C)C12CC(C(C(C1)C3=CC=CC=C3)C(C2)OC(=O)C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N2O2/c1-30(2)28-16-23(20-10-5-3-6-11-20)26(24(17-28)21-12-7-4-8-13-21)25(18-28)32-27(31)22-14-9-15-29-19-22/h3-15,19,23-26H,16-18H2,1-2H3