1-[1-benzofuran-5-yl-[3-bromanyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]-2-butyl-imidazole-4,5-dicarboxylic acid

Systemtic Name: 1-[1-benzofuran-5-yl-[3-bromanyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]-2-butyl-imidazole-4,5-dicarboxylic acid Openeye Name: 1-[benzofuran-5-yl-[3-bromo-2-(2H-tetrazol-5-yl)phenyl]methyl]-2-butyl-imidazole-4,5-dicarboxylic acid CAS Name: 1-[5-benzofuranyl-[3-bromo-2-(2H-tetrazol-5-yl)phenyl]methyl]-2-butylimidazole-4,5-dicarboxylic acid IUPAC Name: 1-[1-benzofuran-5-yl-[3-bromo-2-(2H-tetrazol-5-yl)phenyl]methyl]-2-butylimidazole-4,5-dicarboxylic acid Traditional Name: 1-[benzofuran-5-yl-[3-bromo-2-(2H-tetrazol-5-yl)phenyl]methyl]-2-butyl-imidazole-4,5-dicarboxylic acid Formula: C25H21BrN6O5 MolecularWeight: 565.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1C(C2=CC3=C(C=C2)OC=C3)C4=C(C(=CC=C4)Br)C5=NNN=N5)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=NC(=C(N1C(C2=CC3=C(C=C2)OC=C3)C4=C(C(=CC=C4)Br)C5=NNN=N5)C(=O)O)C(=O)O

InChI

InChI=1S/C25H21BrN6O5/c1-2-3-7-18-27-20(24(33)34)22(25(35)36)32(18)21(14-8-9-17-13(12-14)10-11-37-17)15-5-4-6-16(26)19(15)23-28-30-31-29-23/h4-6,8-12,21H,2-3,7H2,1H3,(H,33,34)(H,35,36)(H,28,29,30,31)