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

Systemtic Name: ethyl 3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-5-methyl-imidazole-4-carboxylate CAS Name: 3-[[3-bromo-2-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-5-benzofuranyl]methyl]-5-methyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-5-methylimidazole-4-carboxylate Traditional Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-5-methyl-imidazole-4-carboxylic acid ethyl ester Formula: C42H33BrN6O3 MolecularWeight: 749.65382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CN1CC2=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

Isomeric SMILES

CCOC(=O)C1=C(N=CN1CC2=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

InChI

InChI=1S/C42H33BrN6O3/c1-3-51-41(50)38-28(2)44-27-48(38)26-29-23-24-36-35(25-29)37(43)39(52-36)33-21-13-14-22-34(33)40-45-47-49(46-40)42(30-15-7-4-8-16-30,31-17-9-5-10-18-31)32-19-11-6-12-20-32/h4-25,27H,3,26H2,1-2H3