[5-[2-(4-cyanophenoxy)ethanoyloxy]-3-ethoxycarbonyl-2-phenyl-1-benzofuran-4-yl]methyl-dimethyl-azanium

Systemtic Name: [5-[2-(4-cyanophenoxy)ethanoyloxy]-3-ethoxycarbonyl-2-phenyl-1-benzofuran-4-yl]methyl-dimethyl-azanium Openeye Name: [5-[2-(4-cyanophenoxy)acetyl]oxy-3-ethoxycarbonyl-2-phenyl-benzofuran-4-yl]methyl-dimethyl-ammonium CAS Name: [5-[2-(4-cyanophenoxy)-1-oxoethoxy]-3-ethoxycarbonyl-2-phenyl-4-benzofuranyl]methyl-dimethylammonium IUPAC Name: [5-[2-(4-cyanophenoxy)acetyl]oxy-3-ethoxycarbonyl-2-phenyl-1-benzofuran-4-yl]methyl-dimethylazanium Traditional Name: [3-carbethoxy-5-[2-(4-cyanophenoxy)acetyl]oxy-2-phenyl-benzofuran-4-yl]methyl-dimethyl-ammonium Formula: C29H27N2O6+ MolecularWeight: 499.53448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)OC(=O)COC3=CC=C(C=C3)C#N)C[NH+](C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)OC(=O)COC3=CC=C(C=C3)C#N)C[NH+](C)C)C4=CC=CC=C4

InChI

InChI=1S/C29H26N2O6/c1-4-34-29(33)27-26-22(17-31(2)3)23(14-15-24(26)37-28(27)20-8-6-5-7-9-20)36-25(32)18-35-21-12-10-19(16-30)11-13-21/h5-15H,4,17-18H2,1-3H3/p+1