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

Systemtic Name: 3-[[3-bromanyl-2-(2-phenylmethoxycarbonylphenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloranyl-imidazole-4-carboxylic acid Openeye Name: 3-[[2-(2-benzyloxycarbonylphenyl)-3-bromo-benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-(2-phenylmethoxycarbonylphenyl)-5-benzofuranyl]methyl]-2-butyl-5-chloro-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-(2-phenylmethoxycarbonylphenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-(2-carbobenzoxyphenyl)benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid Formula: C31H26BrClN2O5 MolecularWeight: 621.90554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)OCC5=CC=CC=C5)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)OCC5=CC=CC=C5)C(=O)O)Cl

InChI

InChI=1S/C31H26BrClN2O5/c1-2-3-13-25-34-29(33)27(30(36)37)35(25)17-20-14-15-24-23(16-20)26(32)28(40-24)21-11-7-8-12-22(21)31(38)39-18-19-9-5-4-6-10-19/h4-12,14-16H,2-3,13,17-18H2,1H3,(H,36,37)