methyl 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazin-1-yl]butyl]benzimidazole-5-carboxylate

Systemtic Name: methyl 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazin-1-yl]butyl]benzimidazole-5-carboxylate Openeye Name: methyl 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazin-1-yl]butyl]benzimidazole-5-carboxylate CAS Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-piperazinyl]butyl]-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazin-1-yl]butyl]benzimidazole-5-carboxylate Traditional Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazino]butyl]benzimidazole-5-carboxylic acid methyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=N2)CCCCN3CCN(CC3)C4COC5=CC=CC=C5O4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=N2)CCCCN3CCN(CC3)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C25H30N4O4/c1-31-25(30)19-8-9-21-20(16-19)26-18-29(21)11-5-4-10-27-12-14-28(15-13-27)24-17-32-22-6-2-3-7-23(22)33-24/h2-3,6-9,16,18,24H,4-5,10-15,17H2,1H3