methyl 3-[[4-[1-cyclohexyl-5-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]benzimidazol-2-yl]phenoxy]methyl]-4-(5-ethanoylthiophen-2-yl)benzoate

Systemtic Name: methyl 3-[[4-[1-cyclohexyl-5-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]benzimidazol-2-yl]phenoxy]methyl]-4-(5-ethanoylthiophen-2-yl)benzoate Openeye Name: methyl 4-(5-acetyl-2-thienyl)-3-[[4-[1-cyclohexyl-5-(2-trityltetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]benzoate CAS Name: 4-(5-acetyl-2-thiophenyl)-3-[[4-[1-cyclohexyl-5-[2-(triphenylmethyl)-5-tetrazolyl]-2-benzimidazolyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(5-acetylthiophen-2-yl)-3-[[4-[1-cyclohexyl-5-(2-trityltetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]benzoate Traditional Name: 4-(5-acetyl-2-thienyl)-3-[[4-[1-cyclohexyl-5-(2-trityltetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]benzoic acid methyl ester Formula: C54H46N6O4S MolecularWeight: 875.04584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C2=C(C=C(C=C2)C(=O)OC)COC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C7=NN(N=N7)C(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

CC(=O)C1=CC=C(S1)C2=C(C=C(C=C2)C(=O)OC)COC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C7=NN(N=N7)C(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C54H46N6O4S/c1-36(61)49-31-32-50(65-49)46-29-25-39(53(62)63-2)33-40(46)35-64-45-27-23-37(24-28-45)52-55-47-34-38(26-30-48(47)59(52)44-21-13-6-14-22-44)51-56-58-60(57-51)54(41-15-7-3-8-16-41,42-17-9-4-10-18-42)43-19-11-5-12-20-43/h3-5,7-12,15-20,23-34,44H,6,13-14,21-22,35H2,1-2H3