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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5S)-5-oxidanyl-5-phenyl-pentanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (5S)-5-hydroxy-5-phenyl-pentanoate CAS Name: (5S)-5-hydroxy-5-phenylpentanoic 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] (5S)-5-hydroxy-5-phenylpentanoate Traditional Name: (5S)-5-hydroxy-5-phenyl-valeric acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C27H36O3 MolecularWeight: 408.57294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CCCC(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)CCC[C@@H](C2=CC=CC=C2)O)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C27H36O3/c1-20-17-18-23(27(2,3)22-13-8-5-9-14-22)25(19-20)30-26(29)16-10-15-24(28)21-11-6-4-7-12-21/h4-9,11-14,20,23-25,28H,10,15-19H2,1-3H3/t20-,23-,24+,25-/m1/s1