ethyl 1-[[3-bromanyl-2-(2-cyanophenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloranyl-imidazole-4-carboxylate

Systemtic Name: ethyl 1-[[3-bromanyl-2-(2-cyanophenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloranyl-imidazole-4-carboxylate Openeye Name: ethyl 1-[[3-bromo-2-(2-cyanophenyl)benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylate CAS Name: 1-[[3-bromo-2-(2-cyanophenyl)-5-benzofuranyl]methyl]-2-butyl-5-chloro-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-bromo-2-(2-cyanophenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylate Traditional Name: 1-[[3-bromo-2-(2-cyanophenyl)benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid ethyl ester Formula: C26H23BrClN3O3 MolecularWeight: 540.83612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C#N)Cl)C(=O)OCC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C#N)Cl)C(=O)OCC

InChI

InChI=1S/C26H23BrClN3O3/c1-3-5-10-21-30-23(26(32)33-4-2)25(28)31(21)15-16-11-12-20-19(13-16)22(27)24(34-20)18-9-7-6-8-17(18)14-29/h6-9,11-13H,3-5,10,15H2,1-2H3