[(3R)-3-[(1R,4R)-1-methyl-2-oxidanylidene-4-propan-2-yl-cyclohexyl]-3-oxidanyl-propyl] benzoate

Systemtic Name: [(3R)-3-[(1R,4R)-1-methyl-2-oxidanylidene-4-propan-2-yl-cyclohexyl]-3-oxidanyl-propyl] benzoate Openeye Name: [(3R)-3-hydroxy-3-[(1R,4R)-4-isopropyl-1-methyl-2-oxo-cyclohexyl]propyl] benzoate CAS Name: benzoic acid [(3R)-3-hydroxy-3-[(1R,4R)-1-methyl-2-oxo-4-propan-2-ylcyclohexyl]propyl] ester IUPAC Name: [(3R)-3-hydroxy-3-[(1R,4R)-1-methyl-2-oxo-4-propan-2-ylcyclohexyl]propyl] benzoate Traditional Name: benzoic acid [(3R)-3-hydroxy-3-[(1R,4R)-4-isopropyl-2-keto-1-methyl-cyclohexyl]propyl] ester Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(C(=O)C1)(C)C(CCOC(=O)C2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C20H28O4/c1-14(2)16-9-11-20(3,18(22)13-16)17(21)10-12-24-19(23)15-7-5-4-6-8-15/h4-8,14,16-17,21H,9-13H2,1-3H3/t16-,17-,20-/m1/s1