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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-oxidanylidenecyclohexane-1-carboxylate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-oxocyclohexanecarboxylate CAS Name: 2-oxo-1-cyclohexanecarboxylic 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] 2-oxocyclohexane-1-carboxylate Traditional Name: 2-ketocyclohexanecarboxylic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C23H32O3 MolecularWeight: 356.49838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2CCCCC2=O)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2CCCCC2=O)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C23H32O3/c1-16-13-14-19(23(2,3)17-9-5-4-6-10-17)21(15-16)26-22(25)18-11-7-8-12-20(18)24/h4-6,9-10,16,18-19,21H,7-8,11-15H2,1-3H3/t16-,18?,19-,21-/m1/s1