1-[3-bromanyl-2-oxidanyl-4-(4-pyridin-3-yloxybutoxy)phenyl]-3-methyl-butan-1-one

Systemtic Name: 1-[3-bromanyl-2-oxidanyl-4-(4-pyridin-3-yloxybutoxy)phenyl]-3-methyl-butan-1-one Openeye Name: 1-[3-bromo-2-hydroxy-4-[4-(3-pyridyloxy)butoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[3-bromo-2-hydroxy-4-[4-(3-pyridinyloxy)butoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[3-bromo-2-hydroxy-4-(4-pyridin-3-yloxybutoxy)phenyl]-3-methylbutan-1-one Traditional Name: 1-[3-bromo-2-hydroxy-4-[4-(3-pyridyloxy)butoxy]phenyl]-3-methyl-butan-1-one Formula: C20H24BrNO4 MolecularWeight: 422.31286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCCOC2=CN=CC=C2)Br)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCCOC2=CN=CC=C2)Br)O

InChI

InChI=1S/C20H24BrNO4/c1-14(2)12-17(23)16-7-8-18(19(21)20(16)24)26-11-4-3-10-25-15-6-5-9-22-13-15/h5-9,13-14,24H,3-4,10-12H2,1-2H3