bis[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(phenylmethylidene)propanedioate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(phenylmethylidene)propanedioate Openeye Name: bis[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-benzylidenepropanedioate CAS Name: 2-(phenylmethylene)propanedioic acid bis[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-benzylidenepropanedioate Traditional Name: 2-benzalmalonic acid bis[(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C42H52O4 MolecularWeight: 620.85988

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(=CC2=CC=CC=C2)C(=O)OC3CC(CCC3C(C)(C)C4=CC=CC=C4)C)C(C)(C)C5=CC=CC=C5

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(=CC2=CC=CC=C2)C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)(C)C4=CC=CC=C4)C)C(C)(C)C5=CC=CC=C5

InChI

InChI=1S/C42H52O4/c1-29-22-24-35(41(3,4)32-18-12-8-13-19-32)37(26-29)45-39(43)34(28-31-16-10-7-11-17-31)40(44)46-38-27-30(2)23-25-36(38)42(5,6)33-20-14-9-15-21-33/h7-21,28-30,35-38H,22-27H2,1-6H3/t29-,30-,35-,36-,37-,38-/m1/s1