[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4-tert-butylphenyl)-2-oxidanylidene-ethanoate

Systemtic Name: [(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4-tert-butylphenyl)-2-oxidanylidene-ethanoate Openeye Name: [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-(4-tert-butylphenyl)-2-oxo-acetate CAS Name: 2-(4-tert-butylphenyl)-2-oxoacetic acid [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(4-tert-butylphenyl)-2-oxoacetate Traditional Name: 2-(4-tert-butylphenyl)-2-keto-acetic acid [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H32O3 MolecularWeight: 344.48768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32O3/c1-14(2)18-12-7-15(3)13-19(18)25-21(24)20(23)16-8-10-17(11-9-16)22(4,5)6/h8-11,14-15,18-19H,7,12-13H2,1-6H3/t15-,18+,19+/m1/s1