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

Systemtic Name: ethyl 5-(1-hydroxyethyl)-2-propyl-1-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 5-(1-hydroxyethyl)-2-propyl-1-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate CAS Name: 5-(1-hydroxyethyl)-2-propyl-1-[[4-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1-hydroxyethyl)-2-propyl-1-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 5-(1-hydroxyethyl)-2-propyl-1-[4-[2-(2-trityltetrazol-5-yl)phenyl]benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C44H42N6O3 MolecularWeight: 702.84268

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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(C)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(C)O)C(=O)OCC

InChI

InChI=1S/C44H42N6O3/c1-4-17-39-45-40(43(52)53-5-2)41(31(3)51)49(39)30-32-26-28-33(29-27-32)37-24-15-16-25-38(37)42-46-48-50(47-42)44(34-18-9-6-10-19-34,35-20-11-7-12-21-35)36-22-13-8-14-23-36/h6-16,18-29,31,51H,4-5,17,30H2,1-3H3