2-oxidanylidene-2-[2-[4-[[4-(2-oxidanylpropan-2-yl)-2-propyl-5-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]imidazol-1-yl]methyl]phenyl]phenyl]ethanoate

Systemtic Name: 2-oxidanylidene-2-[2-[4-[[4-(2-oxidanylpropan-2-yl)-2-propyl-5-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]imidazol-1-yl]methyl]phenyl]phenyl]ethanoate Openeye Name: 2-[2-[4-[[4-(1-hydroxy-1-methyl-ethyl)-2-propyl-5-(2-trityltetrazol-5-yl)imidazol-1-yl]methyl]phenyl]phenyl]-2-oxo-acetate CAS Name: 2-[2-[4-[[4-(2-hydroxypropan-2-yl)-2-propyl-5-[2-(triphenylmethyl)-5-tetrazolyl]-1-imidazolyl]methyl]phenyl]phenyl]-2-oxoacetate IUPAC Name: 2-[2-[4-[[4-(2-hydroxypropan-2-yl)-2-propyl-5-(2-trityltetrazol-5-yl)imidazol-1-yl]methyl]phenyl]phenyl]-2-oxoacetate Traditional Name: 2-[2-[4-[[4-(1-hydroxy-1-methyl-ethyl)-2-propyl-5-(2-trityltetrazol-5-yl)imidazol-1-yl]methyl]phenyl]phenyl]-2-keto-acetate Formula: C44H39N6O4- MolecularWeight: 715.81826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)C(=O)[O-])C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(C)(C)O

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)C(=O)[O-])C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(C)(C)O

InChI

InChI=1S/C44H40N6O4/c1-4-16-37-45-40(43(2,3)54)38(49(37)29-30-25-27-31(28-26-30)35-23-14-15-24-36(35)39(51)42(52)53)41-46-48-50(47-41)44(32-17-8-5-9-18-32,33-19-10-6-11-20-33)34-21-12-7-13-22-34/h5-15,17-28,54H,4,16,29H2,1-3H3,(H,52,53)/p-1