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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-methylidene-3-oxidanylidene-butanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-methylene-3-oxo-butanoate CAS Name: 2-methylene-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-methylidene-3-oxobutanoate Traditional Name: 2-acetylacrylic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O3/c1-14-11-12-18(21(4,5)17-9-7-6-8-10-17)19(13-14)24-20(23)15(2)16(3)22/h6-10,14,18-19H,2,11-13H2,1,3-5H3/t14-,18-,19-/m1/s1