diethyl 2-propyl-1-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazole-4,5-dicarboxylate

Systemtic Name: diethyl 2-propyl-1-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazole-4,5-dicarboxylate Openeye Name: diethyl 2-propyl-1-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4,5-dicarboxylate CAS Name: 2-propyl-1-[[4-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]imidazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-propyl-1-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4,5-dicarboxylate Traditional Name: 2-propyl-1-[4-[2-(2-trityltetrazol-5-yl)phenyl]benzyl]imidazole-4,5-dicarboxylic acid diethyl ester Formula: C45H42N6O4 MolecularWeight: 730.85278

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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)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)C(=O)OCC

InChI

InChI=1S/C45H42N6O4/c1-4-18-39-46-40(43(52)54-5-2)41(44(53)55-6-3)50(39)31-32-27-29-33(30-28-32)37-25-16-17-26-38(37)42-47-49-51(48-42)45(34-19-10-7-11-20-34,35-21-12-8-13-22-35)36-23-14-9-15-24-36/h7-17,19-30H,4-6,18,31H2,1-3H3