[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S)-5-oxidanylidene-3-phenyl-hexanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S)-5-oxidanylidene-3-phenyl-hexanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3S)-5-oxo-3-phenyl-hexanoate CAS Name: (3S)-5-oxo-3-phenylhexanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3S)-5-oxo-3-phenylhexanoate Traditional Name: (3S)-5-keto-3-phenyl-hexanoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H32O3 MolecularWeight: 344.48768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(CC(=O)C)C2=CC=CC=C2)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[C@H](CC(=O)C)C2=CC=CC=C2)C(C)C

InChI

InChI=1S/C22H32O3/c1-15(2)20-11-10-16(3)12-21(20)25-22(24)14-19(13-17(4)23)18-8-6-5-7-9-18/h5-9,15-16,19-21H,10-14H2,1-4H3/t16-,19+,20+,21-/m1/s1