ethanedioic acid; (phenylmethyl) 2-[3-(4-methylpiperazin-1-yl)-2-oxidanylidene-quinolin-1-yl]ethanoate

Systemtic Name: ethanedioic acid; (phenylmethyl) 2-[3-(4-methylpiperazin-1-yl)-2-oxidanylidene-quinolin-1-yl]ethanoate Openeye Name: benzyl 2-[3-(4-methylpiperazin-1-yl)-2-oxo-1-quinolyl]acetate; oxalic acid CAS Name: 2-[3-(4-methyl-1-piperazinyl)-2-oxo-1-quinolinyl]acetic acid (phenylmethyl) ester; oxalic acid IUPAC Name: benzyl 2-[3-(4-methylpiperazin-1-yl)-2-oxoquinolin-1-yl]acetate; oxalic acid Traditional Name: 2-[2-keto-3-(4-methylpiperazino)-1-quinolyl]acetic acid benzyl ester; oxalic acid Formula: C25H27N3O7 MolecularWeight: 481.49778

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=CC=CC=C3N(C2=O)CC(=O)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC3=CC=CC=C3N(C2=O)CC(=O)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H25N3O3.C2H2O4/c1-24-11-13-25(14-12-24)21-15-19-9-5-6-10-20(19)26(23(21)28)16-22(27)29-17-18-7-3-2-4-8-18;3-1(4)2(5)6/h2-10,15H,11-14,16-17H2,1H3;(H,3,4)(H,5,6)