O2-[[5-ethoxycarbonyl-2-propyl-1-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methyl] O1-ethyl ethanedioate

Systemtic Name: O2-[[5-ethoxycarbonyl-2-propyl-1-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methyl] O1-ethyl ethanedioate Openeye Name: O2-[[5-ethoxycarbonyl-2-propyl-1-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl] O1-ethyl oxalate CAS Name: oxalic acid O2-[[5-ethoxycarbonyl-2-propyl-1-[[4-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4-imidazolyl]methyl] ester O1-ethyl ester IUPAC Name: 2-O-[[5-ethoxycarbonyl-2-propyl-1-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl] 1-O-ethyl oxalate Traditional Name: oxalic acid O2-[[5-carbethoxy-2-propyl-1-[4-[2-(2-trityltetrazol-5-yl)phenyl]benzyl]imidazol-4-yl]methyl] ester O1-ethyl ester Formula: C47H44N6O6 MolecularWeight: 788.88886

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC)COC(=O)C(=O)OCC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC)COC(=O)C(=O)OCC

InChI

InChI=1S/C47H44N6O6/c1-4-18-41-48-40(32-59-46(56)45(55)58-6-3)42(44(54)57-5-2)52(41)31-33-27-29-34(30-28-33)38-25-16-17-26-39(38)43-49-51-53(50-43)47(35-19-10-7-11-20-35,36-21-12-8-13-22-36)37-23-14-9-15-24-37/h7-17,19-30H,4-6,18,31-32H2,1-3H3