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

Systemtic Name: [4-(dimethylamino)-6,7-diphenyl-2-bicyclo[2.2.2]octanyl] pyridine-4-carboxylate Openeye Name: [4-(dimethylamino)-6,7-diphenyl-2-bicyclo[2.2.2]octanyl] pyridine-4-carboxylate CAS Name: 4-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-4-carboxylate Traditional Name: isonicotinic 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=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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