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

Systemtic Name: ethyl 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazin-1-yl]butyl]benzimidazole-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O4/c1-2-32-26(31)20-9-10-22-21(17-20)27-19-30(22)12-6-5-11-28-13-15-29(16-14-28)25-18-33-23-7-3-4-8-24(23)34-25/h3-4,7-10,17,19,25H,2,5-6,11-16,18H2,1H3