2-[3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloranyl-imidazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloranyl-imidazol-4-yl]ethanoic acid Openeye Name: 2-[3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazol-4-yl]acetic acid CAS Name: 2-[3-[[3-bromo-2-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-5-benzofuranyl]methyl]-2-butyl-5-chloro-4-imidazolyl]acetic acid IUPAC Name: 2-[3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazol-4-yl]acetic acid Traditional Name: 2-[3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazol-4-yl]acetic acid Formula: C44H36BrClN6O3 MolecularWeight: 812.15204

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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)CC(=O)O)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)CC(=O)O)Cl

InChI

InChI=1S/C44H36BrClN6O3/c1-2-3-23-38-47-42(46)36(27-39(53)54)51(38)28-29-24-25-37-35(26-29)40(45)41(55-37)33-21-13-14-22-34(33)43-48-50-52(49-43)44(30-15-7-4-8-16-30,31-17-9-5-10-18-31)32-19-11-6-12-20-32/h4-22,24-26H,2-3,23,27-28H2,1H3,(H,53,54)