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

Systemtic Name: ethyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 5-isopropenyl-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate CAS Name: 5-(1-methylethenyl)-2-propyl-3-[[4-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-prop-1-en-2-yl-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 5-isopropenyl-2-propyl-3-[4-[2-(2-trityltetrazol-5-yl)phenyl]benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C45H42N6O2 MolecularWeight: 698.85398

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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(=C)C

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(=C)C

InChI

InChI=1S/C45H42N6O2/c1-5-18-40-46-41(32(3)4)42(44(52)53-6-2)50(40)31-33-27-29-34(30-28-33)38-25-16-17-26-39(38)43-47-49-51(48-43)45(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,3,5-6,18,31H2,1-2,4H3