O6-methyl O1-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-hex-2-enedioate

Systemtic Name: O6-methyl O1-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-hex-2-enedioate Openeye Name: O6-methyl O1-[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (E)-hex-2-enedioate CAS Name: (E)-2-hexenedioic acid O6-methyl ester O1-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: 6-O-methyl 1-O-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-hex-2-enedioate Traditional Name: (E)-hex-2-enedioic acid O1-[(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester O6-methyl ester Formula: C23H32O4 MolecularWeight: 372.49778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32O4/c1-17-14-15-19(23(2,3)18-10-6-5-7-11-18)20(16-17)27-22(25)13-9-8-12-21(24)26-4/h5-7,9-11,13,17,19-20H,8,12,14-16H2,1-4H3/b13-9+/t17-,19-,20-/m1/s1