5-[[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-(1,3-benzodioxol-5-yl)piperazino]methyl]-2-furoic acid Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(O2)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(O2)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H18N2O5/c20-17(21)15-4-2-13(24-15)10-18-5-7-19(8-6-18)12-1-3-14-16(9-12)23-11-22-14/h1-4,9H,5-8,10-11H2,(H,20,21)