diethyl 2-[[3-[(1R,2R)-2-acetyloxy-1-oxidanyl-cyclohexyl]phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-[[3-[(1R,2R)-2-acetyloxy-1-oxidanyl-cyclohexyl]phenyl]methyl]propanedioate Openeye Name: diethyl 2-[[3-[(1R,2R)-2-acetoxy-1-hydroxy-cyclohexyl]phenyl]methyl]propanedioate CAS Name: 2-[[3-[(1R,2R)-2-acetyloxy-1-hydroxycyclohexyl]phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-[(1R,2R)-2-acetyloxy-1-hydroxycyclohexyl]phenyl]methyl]propanedioate Traditional Name: 2-[3-[(1R,2R)-2-acetoxy-1-hydroxy-cyclohexyl]benzyl]malonic acid diethyl ester Formula: C22H30O7 MolecularWeight: 406.4694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC(=C1)C2(CCCCC2OC(=O)C)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC(=C1)[C@@]2(CCCC[C@H]2OC(=O)C)O)C(=O)OCC

InChI

InChI=1S/C22H30O7/c1-4-27-20(24)18(21(25)28-5-2)14-16-9-8-10-17(13-16)22(26)12-7-6-11-19(22)29-15(3)23/h8-10,13,18-19,26H,4-7,11-12,14H2,1-3H3/t19-,22-/m1/s1