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

Systemtic Name: ethyl 5-(hydroxymethyl)-2-propyl-3-[[3-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 5-(hydroxymethyl)-2-propyl-3-[[3-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate CAS Name: 5-(hydroxymethyl)-2-propyl-3-[[3-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(hydroxymethyl)-2-propyl-3-[[3-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 5-methylol-2-propyl-3-[3-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C43H40N6O3 MolecularWeight: 688.8161

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=CC(=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC)CO

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=CC(=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC)CO

InChI

InChI=1S/C43H40N6O3/c1-3-17-39-44-38(30-50)40(42(51)52-4-2)48(39)29-31-18-16-19-32(28-31)36-26-14-15-27-37(36)41-45-46-47-49(41)43(33-20-8-5-9-21-33,34-22-10-6-11-23-34)35-24-12-7-13-25-35/h5-16,18-28,50H,3-4,17,29-30H2,1-2H3