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

Systemtic Name: 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]ethyl]benzimidazole-5-carboxylic acid Openeye Name: 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]ethyl]benzimidazole-5-carboxylic acid CAS Name: 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazinyl]ethyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]ethyl]benzimidazole-5-carboxylic acid Traditional Name: 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazino]ethyl]benzimidazole-5-carboxylic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C=NC3=C2C=CC(=C3)C(=O)O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1CCN2C=NC3=C2C=CC(=C3)C(=O)O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H24N4O4/c27-22(28)16-1-3-19-18(13-16)23-15-26(19)10-7-24-5-8-25(9-6-24)17-2-4-20-21(14-17)30-12-11-29-20/h1-4,13-15H,5-12H2,(H,27,28)