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

Systemtic Name: 1-[3-bromanyl-2-oxidanyl-4-[(3-pyridin-3-yloxyphenyl)methoxy]phenyl]-3-methyl-butan-1-one Openeye Name: 1-[3-bromo-2-hydroxy-4-[[3-(3-pyridyloxy)phenyl]methoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[3-bromo-2-hydroxy-4-[[3-(3-pyridinyloxy)phenyl]methoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[3-bromo-2-hydroxy-4-[(3-pyridin-3-yloxyphenyl)methoxy]phenyl]-3-methylbutan-1-one Traditional Name: 1-[3-bromo-2-hydroxy-4-[3-(3-pyridyloxy)benzyl]oxy-phenyl]-3-methyl-butan-1-one Formula: C23H22BrNO4 MolecularWeight: 456.32908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(=C(C=C1)OCC2=CC(=CC=C2)OC3=CN=CC=C3)Br)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C(=C(C=C1)OCC2=CC(=CC=C2)OC3=CN=CC=C3)Br)O

InChI

InChI=1S/C23H22BrNO4/c1-15(2)11-20(26)19-8-9-21(22(24)23(19)27)28-14-16-5-3-6-17(12-16)29-18-7-4-10-25-13-18/h3-10,12-13,15,27H,11,14H2,1-2H3