[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R,3R)-3-methyl-3-phenyl-oxirane-2-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R,3R)-3-methyl-3-phenyl-oxirane-2-carboxylate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2R,3R)-3-methyl-3-phenyl-oxirane-2-carboxylate CAS Name: (2R,3R)-3-methyl-3-phenyl-2-oxiranecarboxylic 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] (2R,3R)-3-methyl-3-phenyloxirane-2-carboxylate Traditional Name: (2R,3R)-3-methyl-3-phenyl-oxirane-2-carboxylic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C26H32O3 MolecularWeight: 392.53048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2C(O2)(C)C3=CC=CC=C3)C(C)(C)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2[C@@](O2)(C)C3=CC=CC=C3)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C26H32O3/c1-18-15-16-21(25(2,3)19-11-7-5-8-12-19)22(17-18)28-24(27)23-26(4,29-23)20-13-9-6-10-14-20/h5-14,18,21-23H,15-17H2,1-4H3/t18-,21-,22-,23+,26-/m1/s1