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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2R)-2-methyl-2-oxidanyl-3-phenyl-propanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2R)-2-hydroxy-2-methyl-3-phenyl-propanoate CAS Name: (2R)-2-hydroxy-2-methyl-3-phenylpropanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxy-2-methyl-3-phenylpropanoate Traditional Name: (2R)-2-hydroxy-2-methyl-3-phenyl-propionic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H30O3 MolecularWeight: 318.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C)(CC2=CC=CC=C2)O)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@](C)(CC2=CC=CC=C2)O)C(C)C

InChI

InChI=1S/C20H30O3/c1-14(2)17-11-10-15(3)12-18(17)23-19(21)20(4,22)13-16-8-6-5-7-9-16/h5-9,14-15,17-18,22H,10-13H2,1-4H3/t15-,17+,18-,20-/m1/s1