methyl 5-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]-1-benzofuran-2-carboxylate

Systemtic Name: methyl 5-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]-1-benzofuran-2-carboxylate Openeye Name: methyl 5-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]benzofuran-2-carboxylate CAS Name: 5-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]-1-benzofuran-2-carboxylate Traditional Name: 5-[2-[4-(4-pyridyl)piperazino]acetyl]coumarilic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(O1)C=CC(=C2)C(=O)CN3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(O1)C=CC(=C2)C(=O)CN3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H21N3O4/c1-27-21(26)20-13-16-12-15(2-3-19(16)28-20)18(25)14-23-8-10-24(11-9-23)17-4-6-22-7-5-17/h2-7,12-13H,8-11,14H2,1H3