(1R,2R,3R,5R)-3-bromanyl-2-[2,6-dimethoxy-4-(5,5,5-trideuteriopentyl)phenyl]-6,6-dimethyl-bicyclo[3.1.1]heptan-4-one

Systemtic Name: (1R,2R,3R,5R)-3-bromanyl-2-[2,6-dimethoxy-4-(5,5,5-trideuteriopentyl)phenyl]-6,6-dimethyl-bicyclo[3.1.1]heptan-4-one Openeye Name: (1R,3R,4R,5R)-3-bromo-4-[2,6-dimethoxy-4-(5,5,5-trideuteriopentyl)phenyl]-6,6-dimethyl-norpinan-2-one CAS Name: (1R,2R,3R,5R)-3-bromo-2-[2,6-dimethoxy-4-(5,5,5-trideuteriopentyl)phenyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanone IUPAC Name: (1R,2R,3R,5R)-3-bromo-2-[2,6-dimethoxy-4-(5,5,5-trideuteriopentyl)phenyl]-6,6-dimethylbicyclo[3.1.1]heptan-4-one Traditional Name: (1R,3R,4R,5R)-3-bromo-4-[2,6-dimethoxy-4-(5,5,5-trideuteriopentyl)phenyl]-6,6-dimethyl-norpinan-2-one Formula: C22H31BrO3 MolecularWeight: 426.402225

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)OC)C2C3CC(C3(C)C)C(=O)C2Br)OC

Isomeric SMILES

[2H]C([2H])([2H])CCCCC1=CC(=C(C(=C1)OC)[C@H]2[C@H]3C[C@H](C3(C)C)C(=O)[C@@H]2Br)OC

InChI

InChI=1S/C22H31BrO3/c1-6-7-8-9-13-10-16(25-4)19(17(11-13)26-5)18-14-12-15(22(14,2)3)21(24)20(18)23/h10-11,14-15,18,20H,6-9,12H2,1-5H3/t14-,15+,18-,20-/m1/s1/i1D3