1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-5-methyl-benzimidazole-2-carboxylic acid

Systemtic Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-5-methyl-benzimidazole-2-carboxylic acid Openeye Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-5-methyl-benzimidazole-2-carboxylic acid CAS Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazinyl]butyl]-5-methyl-2-benzimidazolecarboxylic acid IUPAC Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-5-methylbenzimidazole-2-carboxylic acid Traditional Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazino]butyl]-5-methyl-benzimidazole-2-carboxylic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=N2)C(=O)O)CCCCN3CCN(CC3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=N2)C(=O)O)CCCCN3CCN(CC3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H30N4O4/c1-18-4-6-21-20(16-18)26-24(25(30)31)29(21)9-3-2-8-27-10-12-28(13-11-27)19-5-7-22-23(17-19)33-15-14-32-22/h4-7,16-17H,2-3,8-15H2,1H3,(H,30,31)