3-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-5-[(4-methylpiperazin-1-yl)methyl]benzofuran-2-carboxylic acid CAS Name: 3-methyl-5-[(4-methyl-1-piperazinyl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-5-[(4-methylpiperazino)methyl]coumarilic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)CN3CCN(CC3)C)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)CN3CCN(CC3)C)C(=O)O

InChI

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