5-bromanyl-4-methyl-4-oxidanyl-6-[3-(4-phenylmethoxyphenyl)propyl]oxan-2-one

Systemtic Name: 5-bromanyl-4-methyl-4-oxidanyl-6-[3-(4-phenylmethoxyphenyl)propyl]oxan-2-one Openeye Name: 6-[3-(4-benzyloxyphenyl)propyl]-5-bromo-4-hydroxy-4-methyl-tetrahydropyran-2-one CAS Name: 5-bromo-4-hydroxy-4-methyl-6-[3-(4-phenylmethoxyphenyl)propyl]-2-oxanone IUPAC Name: 5-bromo-4-hydroxy-4-methyl-6-[3-(4-phenylmethoxyphenyl)propyl]oxan-2-one Traditional Name: 6-[3-(4-benzoxyphenyl)propyl]-5-bromo-4-hydroxy-4-methyl-tetrahydropyran-2-one Formula: C22H25BrO4 MolecularWeight: 433.3355

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)OC(C1Br)CCCC2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CC1(CC(=O)OC(C1Br)CCCC2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C22H25BrO4/c1-22(25)14-20(24)27-19(21(22)23)9-5-8-16-10-12-18(13-11-16)26-15-17-6-3-2-4-7-17/h2-4,6-7,10-13,19,21,25H,5,8-9,14-15H2,1H3