3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[(4-ethylpiperazin-1-yl)methyl]benzofuran-2-carboxylic acid CAS Name: 3-[(4-ethyl-1-piperazinyl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(4-ethylpiperazino)methyl]coumarilic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(OC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)CC2=C(OC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H20N2O3/c1-2-17-7-9-18(10-8-17)11-13-12-5-3-4-6-14(12)21-15(13)16(19)20/h3-6H,2,7-11H2,1H3,(H,19,20)