(3S,5S)-3-[(4-methoxy-2,6-dimethyl-phenyl)methyl]-2,2-dimethyl-5-prop-1-en-2-yl-cyclohexan-1-one

Systemtic Name: (3S,5S)-3-[(4-methoxy-2,6-dimethyl-phenyl)methyl]-2,2-dimethyl-5-prop-1-en-2-yl-cyclohexan-1-one Openeye Name: (3S,5S)-5-isopropenyl-3-[(4-methoxy-2,6-dimethyl-phenyl)methyl]-2,2-dimethyl-cyclohexanone CAS Name: (3S,5S)-3-[(4-methoxy-2,6-dimethylphenyl)methyl]-2,2-dimethyl-5-(1-methylethenyl)-1-cyclohexanone IUPAC Name: (3S,5S)-3-[(4-methoxy-2,6-dimethylphenyl)methyl]-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-one Traditional Name: (3S,5S)-5-isopropenyl-3-(4-methoxy-2,6-dimethyl-benzyl)-2,2-dimethyl-cyclohexanone Formula: C21H30O2 MolecularWeight: 314.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC2CC(CC(=O)C2(C)C)C(=C)C)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H]2C[C@@H](CC(=O)C2(C)C)C(=C)C)C)OC

InChI

InChI=1S/C21H30O2/c1-13(2)16-10-17(21(5,6)20(22)11-16)12-19-14(3)8-18(23-7)9-15(19)4/h8-9,16-17H,1,10-12H2,2-7H3/t16-,17-/m0/s1