2,3-bis(oxidanyl)butanedioic acid; 5-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3-phenyl-3H-1-benzofuran-2-one

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 5-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3-phenyl-3H-1-benzofuran-2-one Openeye Name: 2,3-dihydroxybutanedioic acid; 5-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-3-phenyl-3H-benzofuran-2-one CAS Name: 2,3-dihydroxybutanedioic acid; 5-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-phenyl-3H-benzofuran-2-one IUPAC Name: 2,3-dihydroxybutanedioic acid; 5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-3H-1-benzofuran-2-one Traditional Name: 5-[2-keto-2-(4-methylpiperazino)ethyl]-3-phenyl-coumaran-2-one; tartaric acid Formula: C25H28N2O9 MolecularWeight: 500.49782

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CC2=CC3=C(C=C2)OC(=O)C3C4=CC=CC=C4.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)CC2=CC3=C(C=C2)OC(=O)C3C4=CC=CC=C4.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C21H22N2O3.C4H6O6/c1-22-9-11-23(12-10-22)19(24)14-15-7-8-18-17(13-15)20(21(25)26-18)16-5-3-2-4-6-16;5-1(3(7)8)2(6)4(9)10/h2-8,13,20H,9-12,14H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)