[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid [2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid [2-keto-2-(4-piperonylpiperazino)ethyl] ester Formula: C29H28N4O6 MolecularWeight: 528.55582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H28N4O6/c1-36-22-6-3-20(4-7-22)28-30-23-8-5-21(15-24(23)31-28)29(35)37-17-27(34)33-12-10-32(11-13-33)16-19-2-9-25-26(14-19)39-18-38-25/h2-9,14-15H,10-13,16-18H2,1H3,(H,30,31)