[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-oxidanyl-4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-oxidanyl-4-oxidanylidene-4-phenyl-butanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2S)-2-hydroxy-4-oxo-4-phenyl-butanoate CAS Name: (2S)-2-hydroxy-4-oxo-4-phenylbutanoic 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] (2S)-2-hydroxy-4-oxo-4-phenylbutanoate Traditional Name: (2S)-2-hydroxy-4-keto-4-phenyl-butyric acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C26H32O4 MolecularWeight: 408.52988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32O4/c1-18-14-15-21(26(2,3)20-12-8-5-9-13-20)24(16-18)30-25(29)23(28)17-22(27)19-10-6-4-7-11-19/h4-13,18,21,23-24,28H,14-17H2,1-3H3/t18-,21-,23+,24-/m1/s1