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

Systemtic Name: 3-[[3-bromanyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-2-butyl-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-5-benzofuranyl]methyl]-2-butyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butylimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-2-butyl-imidazole-4-carboxylic acid Formula: C24H21BrN6O3 MolecularWeight: 521.36594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NNN=N5)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NNN=N5)C(=O)O

InChI

InChI=1S/C24H21BrN6O3/c1-2-3-8-20-26-12-18(24(32)33)31(20)13-14-9-10-19-17(11-14)21(25)22(34-19)15-6-4-5-7-16(15)23-27-29-30-28-23/h4-7,9-12H,2-3,8,13H2,1H3,(H,32,33)(H,27,28,29,30)