2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]quinolin-4-yl]oxypropanedioic acid

Systemtic Name: 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]quinolin-4-yl]oxypropanedioic acid Openeye Name: 2-[[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl]-4-quinolyl]oxy]propanedioic acid CAS Name: 2-[[2-[[[2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]amino]-oxomethyl]-4-quinolinyl]oxy]propanedioic acid IUPAC Name: 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxypropanedioic acid Traditional Name: 2-[[2-[[2-(4-carbethoxypiperazino)-2-keto-ethyl]carbamoyl]-4-quinolyl]oxy]malonic acid Formula: C22H24N4O9 MolecularWeight: 488.44736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=NC3=CC=CC=C3C(=C2)OC(C(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=NC3=CC=CC=C3C(=C2)OC(C(=O)O)C(=O)O

InChI

InChI=1S/C22H24N4O9/c1-2-34-22(33)26-9-7-25(8-10-26)17(27)12-23-19(28)15-11-16(35-18(20(29)30)21(31)32)13-5-3-4-6-14(13)24-15/h3-6,11,18H,2,7-10,12H2,1H3,(H,23,28)(H,29,30)(H,31,32)