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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C(=C(N1C2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C#N)C(=O)O)Cl)C

Isomeric SMILES

CCCCC1N(C(=C(N1C2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C#N)C(=O)O)Cl)C

InChI

InChI=1S/C24H21BrClN3O3/c1-3-4-9-19-28(2)23(26)21(24(30)31)29(19)15-10-11-18-17(12-15)20(25)22(32-18)16-8-6-5-7-14(16)13-27/h5-8,10-12,19H,3-4,9H2,1-2H3,(H,30,31)