3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-1-methoxy-octane-2,4-dione

Systemtic Name: 3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-1-methoxy-octane-2,4-dione Openeye Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-1-methoxy-octane-2,4-dione CAS Name: 3-[[3-bromo-2-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-5-benzofuranyl]methyl]-1-methoxyoctane-2,4-dione IUPAC Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-1-methoxyoctane-2,4-dione Traditional Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-1-methoxy-octane-2,4-dione Formula: C44H39BrN4O4 MolecularWeight: 767.70886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CC1=CC2=C(C=C1)OC(=C2Br)C3=CC=CC=C3C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)COC

Isomeric SMILES

CCCCC(=O)C(CC1=CC2=C(C=C1)OC(=C2Br)C3=CC=CC=C3C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)COC

InChI

InChI=1S/C44H39BrN4O4/c1-3-4-24-38(50)36(39(51)29-52-2)27-30-25-26-40-37(28-30)41(45)42(53-40)34-22-14-15-23-35(34)43-46-48-49(47-43)44(31-16-8-5-9-17-31,32-18-10-6-11-19-32)33-20-12-7-13-21-33/h5-23,25-26,28,36H,3-4,24,27,29H2,1-2H3