2,3-bis(bromanyl)-3-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-oxidanyl-phenoxy]propanoic acid

Systemtic Name: 2,3-bis(bromanyl)-3-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-oxidanyl-phenoxy]propanoic acid Openeye Name: 2,3-dibromo-3-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-hydroxy-phenoxy]propanoic acid CAS Name: 2,3-dibromo-3-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-hydroxyphenoxy]propanoic acid IUPAC Name: 2,3-dibromo-3-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-hydroxyphenoxy]propanoic acid Traditional Name: 3-[2-(6-amidino-1H-benzimidazol-2-yl)-4-hydroxy-phenoxy]-2,3-dibromo-propionic acid Formula: C17H14Br2N4O4 MolecularWeight: 498.12546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=N)N)NC(=N2)C3=C(C=CC(=C3)O)OC(C(C(=O)O)Br)Br

Isomeric SMILES

C1=CC2=C(C=C1C(=N)N)NC(=N2)C3=C(C=CC(=C3)O)OC(C(C(=O)O)Br)Br

InChI

InChI=1S/C17H14Br2N4O4/c18-13(17(25)26)14(19)27-12-4-2-8(24)6-9(12)16-22-10-3-1-7(15(20)21)5-11(10)23-16/h1-6,13-14,24H,(H3,20,21)(H,22,23)(H,25,26)