5-(2-oxidanylpropan-2-yl)-2-propyl-3-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazole-4-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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