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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21N3O6/c1-31-18-6-3-16(4-7-18)24-27-19-8-5-17(11-20(19)28-24)25(30)32-13-23(29)26-12-15-2-9-21-22(10-15)34-14-33-21/h2-11H,12-14H2,1H3,(H,26,29)(H,27,28)