5-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]benzofuran-2-carboxylic acid CAS Name: 5-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[2-[4-(4-pyridyl)piperazino]acetyl]coumarilic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC3=C(C=C2)OC(=C3)C(=O)O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC3=C(C=C2)OC(=C3)C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C20H19N3O4/c24-17(14-1-2-18-15(11-14)12-19(27-18)20(25)26)13-22-7-9-23(10-8-22)16-3-5-21-6-4-16/h1-6,11-12H,7-10,13H2,(H,25,26)