[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5S)-2-oxidanylidene-5-phenyl-cyclopentane-1-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5S)-2-oxidanylidene-5-phenyl-cyclopentane-1-carboxylate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (5S)-2-oxo-5-phenyl-cyclopentanecarboxylate CAS Name: (5S)-2-oxo-5-phenyl-1-cyclopentanecarboxylic 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)-2-oxo-5-phenylcyclopentane-1-carboxylate Traditional Name: (5S)-2-keto-5-phenyl-cyclopentanecarboxylic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C28H34O3 MolecularWeight: 418.56776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2C(CCC2=O)C3=CC=CC=C3)C(C)(C)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2[C@H](CCC2=O)C3=CC=CC=C3)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C28H34O3/c1-19-14-16-23(28(2,3)21-12-8-5-9-13-21)25(18-19)31-27(30)26-22(15-17-24(26)29)20-10-6-4-7-11-20/h4-13,19,22-23,25-26H,14-18H2,1-3H3/t19-,22-,23-,25-,26?/m1/s1