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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3-phenyloxirane-2-carboxylate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 3-phenyloxirane-2-carboxylate CAS Name: 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] 3-phenyloxirane-2-carboxylate Traditional Name: 3-phenyloxirane-2-carboxylic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C25H30O3 MolecularWeight: 378.5039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2C(O2)C3=CC=CC=C3)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C25H30O3/c1-17-14-15-20(25(2,3)19-12-8-5-9-13-19)21(16-17)27-24(26)23-22(28-23)18-10-6-4-7-11-18/h4-13,17,20-23H,14-16H2,1-3H3/t17-,20-,21-,22?,23?/m1/s1