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

Systemtic Name: 2-butyl-5-chloranyl-3-[[2-(2-cyanophenyl)-3-methoxy-1-benzofuran-5-yl]methyl]imidazole-4-carboxylic acid Openeye Name: 2-butyl-5-chloro-3-[[2-(2-cyanophenyl)-3-methoxy-benzofuran-5-yl]methyl]imidazole-4-carboxylic acid CAS Name: 2-butyl-5-chloro-3-[[2-(2-cyanophenyl)-3-methoxy-5-benzofuranyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-5-chloro-3-[[2-(2-cyanophenyl)-3-methoxy-1-benzofuran-5-yl]methyl]imidazole-4-carboxylic acid Traditional Name: 2-butyl-5-chloro-3-[[2-(2-cyanophenyl)-3-methoxy-benzofuran-5-yl]methyl]imidazole-4-carboxylic acid Formula: C25H22ClN3O4 MolecularWeight: 463.91288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3OC)C4=CC=CC=C4C#N)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3OC)C4=CC=CC=C4C#N)C(=O)O)Cl

InChI

InChI=1S/C25H22ClN3O4/c1-3-4-9-20-28-24(26)21(25(30)31)29(20)14-15-10-11-19-18(12-15)22(32-2)23(33-19)17-8-6-5-7-16(17)13-27/h5-8,10-12H,3-4,9,14H2,1-2H3,(H,30,31)