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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 3,3-dimethyloxirane-2-carboxylate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 3,3-dimethyloxirane-2-carboxylate CAS Name: 3,3-dimethyl-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] 3,3-dimethyloxirane-2-carboxylate Traditional Name: 3,3-dimethyloxirane-2-carboxylic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O3/c1-14-11-12-16(20(2,3)15-9-7-6-8-10-15)17(13-14)23-19(22)18-21(4,5)24-18/h6-10,14,16-18H,11-13H2,1-5H3/t14-,16-,17-,18?/m1/s1