[(1S,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-oxidanylidene-6-phenyl-hexanoate

Systemtic Name: [(1S,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-oxidanylidene-6-phenyl-hexanoate Openeye Name: [(1S,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 3-oxo-6-phenyl-hexanoate CAS Name: 3-oxo-6-phenylhexanoic 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] 3-oxo-6-phenylhexanoate Traditional Name: 3-keto-6-phenyl-hexanoic acid [(1S,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C28H36O3 MolecularWeight: 420.58364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(=O)CCCC2=CC=CC=C2)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@H](C1)OC(=O)CC(=O)CCCC2=CC=CC=C2)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C28H36O3/c1-21-17-18-25(28(2,3)23-14-8-5-9-15-23)26(19-21)31-27(30)20-24(29)16-10-13-22-11-6-4-7-12-22/h4-9,11-12,14-15,21,25-26H,10,13,16-20H2,1-3H3/t21-,25-,26+/m1/s1