[3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-yl] 2,2-diphenylethanoate

Systemtic Name: [3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-yl] 2,2-diphenylethanoate Openeye Name: [3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-yl] 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid [3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-yl] ester IUPAC Name: [3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-yl] 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid [3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-yl] ester Formula: C28H38N2O2 MolecularWeight: 434.61352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2CCC(C(C1)C2OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)N(C)C

Isomeric SMILES

CCCCN1CC2CCC(C(C1)C2OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)N(C)C

InChI

InChI=1S/C28H38N2O2/c1-4-5-18-30-19-23-16-17-25(29(2)3)24(20-30)27(23)32-28(31)26(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,23-27H,4-5,16-20H2,1-3H3