5-bromanyl-4-methyl-4-oxidanyl-6-[2-(4-phenylmethoxyphenyl)ethyl]oxan-2-one

Systemtic Name: 5-bromanyl-4-methyl-4-oxidanyl-6-[2-(4-phenylmethoxyphenyl)ethyl]oxan-2-one Openeye Name: 6-[2-(4-benzyloxyphenyl)ethyl]-5-bromo-4-hydroxy-4-methyl-tetrahydropyran-2-one CAS Name: 5-bromo-4-hydroxy-4-methyl-6-[2-(4-phenylmethoxyphenyl)ethyl]-2-oxanone IUPAC Name: 5-bromo-4-hydroxy-4-methyl-6-[2-(4-phenylmethoxyphenyl)ethyl]oxan-2-one Traditional Name: 6-[2-(4-benzoxyphenyl)ethyl]-5-bromo-4-hydroxy-4-methyl-tetrahydropyran-2-one Formula: C21H23BrO4 MolecularWeight: 419.30892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)OC(C1Br)CCC2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CC1(CC(=O)OC(C1Br)CCC2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C21H23BrO4/c1-21(24)13-19(23)26-18(20(21)22)12-9-15-7-10-17(11-8-15)25-14-16-5-3-2-4-6-16/h2-8,10-11,18,20,24H,9,12-14H2,1H3