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

Systemtic Name: 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]benzimidazole-5-carboxylic acid Openeye Name: 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]benzimidazole-5-carboxylic acid CAS Name: 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazinyl]propyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]benzimidazole-5-carboxylic acid Traditional Name: 1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazino]propyl]benzimidazole-5-carboxylic acid Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C=NC3=C2C=CC(=C3)C(=O)O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1CCCN2C=NC3=C2C=CC(=C3)C(=O)O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H26N4O4/c28-23(29)17-2-4-20-19(14-17)24-16-27(20)7-1-6-25-8-10-26(11-9-25)18-3-5-21-22(15-18)31-13-12-30-21/h2-5,14-16H,1,6-13H2,(H,28,29)