(3R,4R)-3-(2,6-dimethoxy-4-pentyl-phenyl)-2-iodanyl-4-prop-1-en-2-yl-cyclohexan-1-one

Systemtic Name: (3R,4R)-3-(2,6-dimethoxy-4-pentyl-phenyl)-2-iodanyl-4-prop-1-en-2-yl-cyclohexan-1-one Openeye Name: (3R,4R)-3-(2,6-dimethoxy-4-pentyl-phenyl)-2-iodo-4-isopropenyl-cyclohexanone CAS Name: (3R,4R)-3-(2,6-dimethoxy-4-pentylphenyl)-2-iodo-4-(1-methylethenyl)-1-cyclohexanone IUPAC Name: (3R,4R)-3-(2,6-dimethoxy-4-pentylphenyl)-2-iodo-4-prop-1-en-2-ylcyclohexan-1-one Traditional Name: (3R,4R)-3-(4-amyl-2,6-dimethoxy-phenyl)-2-iodo-4-isopropenyl-cyclohexanone Formula: C22H31IO3 MolecularWeight: 470.38421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)OC)C2C(CCC(=O)C2I)C(=C)C)OC

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)OC)[C@H]2[C@@H](CCC(=O)C2I)C(=C)C)OC

InChI

InChI=1S/C22H31IO3/c1-6-7-8-9-15-12-18(25-4)21(19(13-15)26-5)20-16(14(2)3)10-11-17(24)22(20)23/h12-13,16,20,22H,2,6-11H2,1,3-5H3/t16-,20+,22?/m0/s1