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

Systemtic Name: 3-(2-chlorophenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-(2-chlorophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzofuran-2-carboxylic acid CAS Name: 3-(2-chlorophenyl)-4-[(4-methyl-1-piperazinyl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-(2-chlorophenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-(2-chlorophenyl)-4-[(4-methylpiperazino)methyl]coumarilic acid Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C3C(=CC=C2)OC(=C3C4=CC=CC=C4Cl)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC2=C3C(=CC=C2)OC(=C3C4=CC=CC=C4Cl)C(=O)O

InChI

InChI=1S/C21H21ClN2O3/c1-23-9-11-24(12-10-23)13-14-5-4-8-17-18(14)19(20(27-17)21(25)26)15-6-2-3-7-16(15)22/h2-8H,9-13H2,1H3,(H,25,26)