ethanedioic acid; methyl 4-chloranyl-7-piperazin-1-yl-1-benzofuran-5-carboxylate

Systemtic Name: ethanedioic acid; methyl 4-chloranyl-7-piperazin-1-yl-1-benzofuran-5-carboxylate Openeye Name: methyl 4-chloro-7-piperazin-1-yl-benzofuran-5-carboxylate; oxalic acid CAS Name: 4-chloro-7-(1-piperazinyl)-5-benzofurancarboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 4-chloro-7-piperazin-1-yl-1-benzofuran-5-carboxylate; oxalic acid Traditional Name: 4-chloro-7-piperazino-benzofuran-5-carboxylic acid methyl ester; oxalic acid Formula: C16H17ClN2O7 MolecularWeight: 384.76838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C(=C1Cl)C=CO2)N3CCNCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC(=C2C(=C1Cl)C=CO2)N3CCNCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H15ClN2O3.C2H2O4/c1-19-14(18)10-8-11(17-5-3-16-4-6-17)13-9(12(10)15)2-7-20-13;3-1(4)2(5)6/h2,7-8,16H,3-6H2,1H3;(H,3,4)(H,5,6)