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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-2,3-diphenylpropanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2R)-2,3-diphenylpropanoate CAS Name: (2R)-2,3-diphenylpropanoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-2,3-diphenylpropanoate Traditional Name: (2R)-2,3-diphenylpropionic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C31H36O2 MolecularWeight: 440.61634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CC2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H](CC2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C31H36O2/c1-23-19-20-28(31(2,3)26-17-11-6-12-18-26)29(21-23)33-30(32)27(25-15-9-5-10-16-25)22-24-13-7-4-8-14-24/h4-18,23,27-29H,19-22H2,1-3H3/t23-,27-,28-,29-/m1/s1