1-[4-(4-bromanylphenoxy)-2-fluoranyl-phenyl]-2-diethoxyphosphoryl-ethanamine

Systemtic Name: 1-[4-(4-bromanylphenoxy)-2-fluoranyl-phenyl]-2-diethoxyphosphoryl-ethanamine Openeye Name: 1-[4-(4-bromophenoxy)-2-fluoro-phenyl]-2-diethoxyphosphoryl-ethanamine CAS Name: 1-[4-(4-bromophenoxy)-2-fluorophenyl]-2-diethoxyphosphorylethanamine IUPAC Name: 1-[4-(4-bromophenoxy)-2-fluorophenyl]-2-diethoxyphosphorylethanamine Traditional Name: [1-[4-(4-bromophenoxy)-2-fluoro-phenyl]-2-diethoxyphosphoryl-ethyl]amine Formula: C18H22BrFNO4P MolecularWeight: 446.247744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(C1=C(C=C(C=C1)OC2=CC=C(C=C2)Br)F)N)OCC

Isomeric SMILES

CCOP(=O)(CC(C1=C(C=C(C=C1)OC2=CC=C(C=C2)Br)F)N)OCC

InChI

InChI=1S/C18H22BrFNO4P/c1-3-23-26(22,24-4-2)12-18(21)16-10-9-15(11-17(16)20)25-14-7-5-13(19)6-8-14/h5-11,18H,3-4,12,21H2,1-2H3