[(1S,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(dimethylamino)-2-methyl-3-phenyl-propanoate

Systemtic Name: [(1S,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(dimethylamino)-2-methyl-3-phenyl-propanoate Openeye Name: [(1S,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-(dimethylamino)-2-methyl-3-phenyl-propanoate CAS Name: 2-(dimethylamino)-2-methyl-3-phenylpropanoic acid [(1S,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1S,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(dimethylamino)-2-methyl-3-phenylpropanoate Traditional Name: 2-(dimethylamino)-2-methyl-3-phenyl-propionic acid [(1S,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C28H39NO2 MolecularWeight: 421.61476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C)(CC2=CC=CC=C2)N(C)C)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@H](C1)OC(=O)C(C)(CC2=CC=CC=C2)N(C)C)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C28H39NO2/c1-21-17-18-24(27(2,3)23-15-11-8-12-16-23)25(19-21)31-26(30)28(4,29(5)6)20-22-13-9-7-10-14-22/h7-16,21,24-25H,17-20H2,1-6H3/t21-,24-,25+,28?/m1/s1