4-[3-[2-(4-bromanylphenoxy)propanoyl-ethyl-amino]propanoylamino]benzamide

Systemtic Name: 4-[3-[2-(4-bromanylphenoxy)propanoyl-ethyl-amino]propanoylamino]benzamide Openeye Name: 4-[3-[2-(4-bromophenoxy)propanoyl-ethyl-amino]propanoylamino]benzamide CAS Name: 4-[[3-[[2-(4-bromophenoxy)-1-oxopropyl]-ethylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[2-(4-bromophenoxy)propanoyl-ethylamino]propanoylamino]benzamide Traditional Name: 4-[3-[2-(4-bromophenoxy)propanoyl-ethyl-amino]propanoylamino]benzamide Formula: C21H24BrN3O4 MolecularWeight: 462.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)C(C)OC2=CC=C(C=C2)Br

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)C(C)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H24BrN3O4/c1-3-25(21(28)14(2)29-18-10-6-16(22)7-11-18)13-12-19(26)24-17-8-4-15(5-9-17)20(23)27/h4-11,14H,3,12-13H2,1-2H3,(H2,23,27)(H,24,26)