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

Systemtic Name: ethyl 3-[[3-bromanyl-2-(2-phenylmethoxycarbonylphenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloranyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[[2-(2-benzyloxycarbonylphenyl)-3-bromo-benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylate CAS Name: 3-[[3-bromo-2-(2-phenylmethoxycarbonylphenyl)-5-benzofuranyl]methyl]-2-butyl-5-chloro-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-bromo-2-(2-phenylmethoxycarbonylphenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylate Traditional Name: 3-[[3-bromo-2-(2-carbobenzoxyphenyl)benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid ethyl ester Formula: C33H30BrClN2O5 MolecularWeight: 649.9587

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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)OCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C33H30BrClN2O5/c1-3-5-15-27-36-31(35)29(33(39)40-4-2)37(27)19-22-16-17-26-25(18-22)28(34)30(42-26)23-13-9-10-14-24(23)32(38)41-20-21-11-7-6-8-12-21/h6-14,16-18H,3-5,15,19-20H2,1-2H3