[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-chloranyl-3-oxidanylidene-butanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-chloranyl-3-oxidanylidene-butanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-chloro-3-oxo-butanoate CAS Name: 2-chloro-3-oxobutanoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-chloro-3-oxobutanoate Traditional Name: 2-chloro-3-keto-butyric acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C20H27ClO3 MolecularWeight: 350.87958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClO3/c1-13-10-11-16(20(3,4)15-8-6-5-7-9-15)17(12-13)24-19(23)18(21)14(2)22/h5-9,13,16-18H,10-12H2,1-4H3/t13-,16-,17-,18?/m1/s1