3-[[3-bromanyl-2-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1-benzofuran-5-yl]methyl]-1-phenylmethoxy-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-phenylmethoxy-octane-2,4-dione Openeye Name: 1-benzyloxy-3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]octane-2,4-dione CAS Name: 3-[[3-bromo-2-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-5-benzofuranyl]methyl]-1-phenylmethoxyoctane-2,4-dione IUPAC Name: 3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-1-phenylmethoxyoctane-2,4-dione Traditional Name: 1-benzoxy-3-[[3-bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]octane-2,4-dione Formula: C50H43BrN4O4 MolecularWeight: 843.80482

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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)COCC8=CC=CC=C8

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)COCC8=CC=CC=C8

InChI

InChI=1S/C50H43BrN4O4/c1-2-3-28-44(56)42(45(57)34-58-33-35-18-8-4-9-19-35)31-36-29-30-46-43(32-36)47(51)48(59-46)40-26-16-17-27-41(40)49-52-54-55(53-49)50(37-20-10-5-11-21-37,38-22-12-6-13-23-38)39-24-14-7-15-25-39/h4-27,29-30,32,42H,2-3,28,31,33-34H2,1H3