[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-oxidanylidene-6-phenyl-hexanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-oxidanylidene-6-phenyl-hexanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 3-oxo-6-phenyl-hexanoate CAS Name: 3-oxo-6-phenylhexanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-oxo-6-phenylhexanoate Traditional Name: 3-keto-6-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(=O)CCCC2=CC=CC=C2)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC(=O)CCCC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C22H32O3/c1-16(2)20-13-12-17(3)14-21(20)25-22(24)15-19(23)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,16-17,20-21H,7,10-15H2,1-3H3/t17-,20+,21-/m1/s1