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

Systemtic Name: 3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-5-chloranyl-2-ethyl-imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-5-chloro-2-ethyl-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-5-benzofuranyl]methyl]-5-chloro-2-ethyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-5-chloro-2-ethylimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-5-chloro-2-ethyl-imidazole-4-carboxylic acid Formula: C41H30BrClN6O3 MolecularWeight: 770.0723

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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)O)Cl

Isomeric SMILES

CCC1=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)O)Cl

InChI

InChI=1S/C41H30BrClN6O3/c1-2-34-44-38(43)36(40(50)51)48(34)25-26-22-23-33-32(24-26)35(42)37(52-33)30-20-12-13-21-31(30)39-45-47-49(46-39)41(27-14-6-3-7-15-27,28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-24H,2,25H2,1H3,(H,50,51)