diethyl 2-[[[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoranyl-pyridin-2-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoranyl-pyridin-2-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoro-2-pyridyl]amino]methylene]propanedioate CAS Name: 2-[[[6-(4-ethoxycarbonyl-1-piperazinyl)-5-fluoro-2-pyridinyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoropyridin-2-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[6-(4-carbethoxypiperazino)-5-fluoro-2-pyridyl]amino]methylene]malonic acid diethyl ester Formula: C20H27FN4O6 MolecularWeight: 438.449983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=C(C=C1)F)N2CCN(CC2)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC(=C(C=C1)F)N2CCN(CC2)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C20H27FN4O6/c1-4-29-18(26)14(19(27)30-5-2)13-22-16-8-7-15(21)17(23-16)24-9-11-25(12-10-24)20(28)31-6-3/h7-8,13H,4-6,9-12H2,1-3H3,(H,22,23)