3-[[3-bromanyl-3-(2-cyanophenyl)-2H-1-benzofuran-2-yl]methyl]-2-butyl-5-chloranyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[[3-bromanyl-3-(2-cyanophenyl)-2H-1-benzofuran-2-yl]methyl]-2-butyl-5-chloranyl-imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-3-(2-cyanophenyl)-2H-benzofuran-2-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-3-(2-cyanophenyl)-2H-benzofuran-2-yl]methyl]-2-butyl-5-chloro-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-3-(2-cyanophenyl)-2H-1-benzofuran-2-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-3-(2-cyanophenyl)coumaran-2-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid Formula: C24H21BrClN3O3 MolecularWeight: 514.79884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2C(C3=CC=CC=C3O2)(C4=CC=CC=C4C#N)Br)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2C(C3=CC=CC=C3O2)(C4=CC=CC=C4C#N)Br)C(=O)O)Cl

InChI

InChI=1S/C24H21BrClN3O3/c1-2-3-12-20-28-22(26)21(23(30)31)29(20)14-19-24(25,16-9-5-4-8-15(16)13-27)17-10-6-7-11-18(17)32-19/h4-11,19H,2-3,12,14H2,1H3,(H,30,31)