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

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-methyl-3-oxidanylidene-3-phenyl-propanoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-methyl-3-oxo-3-phenyl-propanoate CAS Name: (2S)-2-methyl-3-oxo-3-phenylpropanoic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-methyl-3-oxo-3-phenylpropanoate Traditional Name: (2S)-3-keto-2-methyl-3-phenyl-propionic acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H28O3 MolecularWeight: 316.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28O3/c1-13(2)17-11-10-14(3)12-18(17)23-20(22)15(4)19(21)16-8-6-5-7-9-16/h5-9,13-15,17-18H,10-12H2,1-4H3/t14-,15-,17-,18+/m0/s1