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

Systemtic Name: methyl 5-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-2-propyl-3-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: methyl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate CAS Name: 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[4-[2-(2-trityltetrazol-5-yl)phenyl]benzyl]imidazole-4-carboxylic acid methyl ester Formula: C43H35F5N6O2 MolecularWeight: 762.769016

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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)OC)C(C(F)(F)F)(F)F

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)OC)C(C(F)(F)F)(F)F

InChI

InChI=1S/C43H35F5N6O2/c1-3-15-36-49-38(42(44,45)43(46,47)48)37(40(55)56-2)53(36)28-29-24-26-30(27-25-29)34-22-13-14-23-35(34)39-50-52-54(51-39)41(31-16-7-4-8-17-31,32-18-9-5-10-19-32)33-20-11-6-12-21-33/h4-14,16-27H,3,15,28H2,1-2H3