[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(4-tert-butylcyclohexylidene)ethanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(4-tert-butylcyclohexylidene)ethanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-(4-tert-butylcyclohexylidene)acetate CAS Name: 2-(4-tert-butylcyclohexylidene)acetic 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] 2-(4-tert-butylcyclohexylidene)acetate Traditional Name: 2-(4-tert-butylcyclohexylidene)acetic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C28H42O2 MolecularWeight: 410.63188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=C2CCC(CC2)C(C)(C)C)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C=C2CCC(CC2)C(C)(C)C)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C28H42O2/c1-20-12-17-24(28(5,6)23-10-8-7-9-11-23)25(18-20)30-26(29)19-21-13-15-22(16-14-21)27(2,3)4/h7-11,19-20,22,24-25H,12-18H2,1-6H3/t20-,22?,24-,25-/m1/s1