3-[[3-bromanyl-2-(2-methoxycarbonylphenyl)-1-benzofuran-5-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[[3-bromanyl-2-(2-methoxycarbonylphenyl)-1-benzofuran-5-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-2-(2-methoxycarbonylphenyl)benzofuran-5-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-(2-methoxycarbonylphenyl)-5-benzofuranyl]methyl]-2-ethyl-5-methyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-(2-methoxycarbonylphenyl)-1-benzofuran-5-yl]methyl]-2-ethyl-5-methylimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-(2-carbomethoxyphenyl)benzofuran-5-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylic acid Formula: C24H21BrN2O5 MolecularWeight: 497.33794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)OC)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)OC)C(=O)O)C

InChI

InChI=1S/C24H21BrN2O5/c1-4-19-26-13(2)21(23(28)29)27(19)12-14-9-10-18-17(11-14)20(25)22(32-18)15-7-5-6-8-16(15)24(30)31-3/h5-11H,4,12H2,1-3H3,(H,28,29)