(4-chlorophenyl)methyl 3,3-dimethyl-2-(2-methyl-2-oxidanyl-propanoyl)cyclohexane-1-carboxylate

Systemtic Name: (4-chlorophenyl)methyl 3,3-dimethyl-2-(2-methyl-2-oxidanyl-propanoyl)cyclohexane-1-carboxylate Openeye Name: (4-chlorophenyl)methyl 2-(2-hydroxy-2-methyl-propanoyl)-3,3-dimethyl-cyclohexanecarboxylate CAS Name: 2-(2-hydroxy-2-methyl-1-oxopropyl)-3,3-dimethyl-1-cyclohexanecarboxylic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 2-(2-hydroxy-2-methylpropanoyl)-3,3-dimethylcyclohexane-1-carboxylate Traditional Name: 2-(2-hydroxy-2-methyl-propanoyl)-3,3-dimethyl-cyclohexanecarboxylic acid (4-chlorobenzyl) ester Formula: C20H27ClO4 MolecularWeight: 366.87898

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1C(=O)C(C)(C)O)C(=O)OCC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1(CCCC(C1C(=O)C(C)(C)O)C(=O)OCC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C20H27ClO4/c1-19(2)11-5-6-15(16(19)17(22)20(3,4)24)18(23)25-12-13-7-9-14(21)10-8-13/h7-10,15-16,24H,5-6,11-12H2,1-4H3