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

Systemtic Name: [4-(dimethylamino)-6,7-diphenyl-2-bicyclo[2.2.2]octanyl] benzoate Openeye Name: [4-(dimethylamino)-6,7-diphenyl-2-bicyclo[2.2.2]octanyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [4-(dimethylamino)-6,7-diphenyl-2-bicyclo[2.2.2]octanyl] ester Formula: C29H31NO2 MolecularWeight: 425.56194

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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=CC=C4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO2/c1-30(2)29-18-24(21-12-6-3-7-13-21)27(25(19-29)22-14-8-4-9-15-22)26(20-29)32-28(31)23-16-10-5-11-17-23/h3-17,24-27H,18-20H2,1-2H3