2-methoxyethyl 3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloranyl-imidazole-4-carboxylate

Systemtic Name: 2-methoxyethyl 3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloranyl-imidazole-4-carboxylate Openeye Name: 2-methoxyethyl 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylate CAS Name: 3-[[3-bromo-2-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-5-benzofuranyl]methyl]-2-butyl-5-chloro-4-imidazolecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylate Traditional Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid 2-methoxyethyl ester Formula: C46H40BrClN6O4 MolecularWeight: 856.2046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)OCCOC)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)OCCOC)Cl

InChI

InChI=1S/C46H40BrClN6O4/c1-3-4-24-39-49-43(48)41(45(55)57-28-27-56-2)53(39)30-31-25-26-38-37(29-31)40(47)42(58-38)35-22-14-15-23-36(35)44-50-52-54(51-44)46(32-16-8-5-9-17-32,33-18-10-6-11-19-33)34-20-12-7-13-21-34/h5-23,25-26,29H,3-4,24,27-28,30H2,1-2H3