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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-oxidanylidenebutanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 3-oxobutanoate CAS Name: 3-oxobutanoic 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] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C20H28O3 MolecularWeight: 316.43452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28O3/c1-14-10-11-17(18(12-14)23-19(22)13-15(2)21)20(3,4)16-8-6-5-7-9-16/h5-9,14,17-18H,10-13H2,1-4H3/t14-,17-,18-/m1/s1