O4-ethyl O1-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-2-phenylbutanedioate

Systemtic Name: O4-ethyl O1-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-2-phenylbutanedioate Openeye Name: O4-ethyl O1-[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2R)-2-phenylbutanedioate CAS Name: (2R)-2-phenylbutanedioic acid O4-ethyl ester O1-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: 4-O-ethyl 1-O-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-2-phenylbutanedioate Traditional Name: (2R)-2-phenylsuccinic acid O1-[(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester O4-ethyl ester Formula: C28H36O4 MolecularWeight: 436.58304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)C(=O)OC2CC(CCC2C(C)(C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C[C@H](C1=CC=CC=C1)C(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)(C)C3=CC=CC=C3)C

InChI

InChI=1S/C28H36O4/c1-5-31-26(29)19-23(21-12-8-6-9-13-21)27(30)32-25-18-20(2)16-17-24(25)28(3,4)22-14-10-7-11-15-22/h6-15,20,23-25H,5,16-19H2,1-4H3/t20-,23-,24-,25-/m1/s1