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

Systemtic Name: 2-butyl-3-[[3-tert-butyl-2-(2-cyanophenyl)-1-benzofuran-5-yl]methyl]-5-chloranyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[3-tert-butyl-2-(2-cyanophenyl)benzofuran-5-yl]methyl]-5-chloro-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[3-tert-butyl-2-(2-cyanophenyl)-5-benzofuranyl]methyl]-5-chloro-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[3-tert-butyl-2-(2-cyanophenyl)-1-benzofuran-5-yl]methyl]-5-chloroimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[[3-tert-butyl-2-(2-cyanophenyl)benzofuran-5-yl]methyl]-5-chloro-imidazole-4-carboxylic acid Formula: C28H28ClN3O3 MolecularWeight: 489.99322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3C(C)(C)C)C4=CC=CC=C4C#N)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3C(C)(C)C)C4=CC=CC=C4C#N)C(=O)O)Cl

InChI

InChI=1S/C28H28ClN3O3/c1-5-6-11-22-31-26(29)24(27(33)34)32(22)16-17-12-13-21-20(14-17)23(28(2,3)4)25(35-21)19-10-8-7-9-18(19)15-30/h7-10,12-14H,5-6,11,16H2,1-4H3,(H,33,34)