4-[3-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl-ethyl-amino]propanoylamino]benzamide

Systemtic Name: 4-[3-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl-ethyl-amino]propanoylamino]benzamide Openeye Name: 4-[3-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]-ethyl-amino]propanoylamino]benzamide CAS Name: 4-[[3-[[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]-ethylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]propanoylamino]benzamide Traditional Name: 4-[3-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]-ethyl-amino]propanoylamino]benzamide Formula: C20H21BrFN3O4 MolecularWeight: 466.300843

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)COC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)COC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C20H21BrFN3O4/c1-2-25(19(27)12-29-17-8-5-14(21)11-16(17)22)10-9-18(26)24-15-6-3-13(4-7-15)20(23)28/h3-8,11H,2,9-10,12H2,1H3,(H2,23,28)(H,24,26)