5-bromanyl-6-[2-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-methyl-4-oxidanyl-oxan-2-one

Systemtic Name: 5-bromanyl-6-[2-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-methyl-4-oxidanyl-oxan-2-one Openeye Name: 5-bromo-6-[2-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxy-4-methyl-tetrahydropyran-2-one CAS Name: 5-bromo-6-[2-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxy-4-methyl-2-oxanone IUPAC Name: 5-bromo-6-[2-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxy-4-methyloxan-2-one Traditional Name: 5-bromo-6-[2-[4-(4-fluorobenzyl)oxyphenyl]ethyl]-4-hydroxy-4-methyl-tetrahydropyran-2-one Formula: C21H22BrFO4 MolecularWeight: 437.299383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrFO4/c1-21(25)12-19(24)27-18(20(21)22)11-6-14-4-9-17(10-5-14)26-13-15-2-7-16(23)8-3-15/h2-5,7-10,18,20,25H,6,11-13H2,1H3