2-[cyclopropyl-[[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoranyl-pyridin-2-yl]amino]methylidene]propanedioic acid

Systemtic Name: 2-[cyclopropyl-[[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoranyl-pyridin-2-yl]amino]methylidene]propanedioic acid Openeye Name: 2-[cyclopropyl-[[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoro-2-pyridyl]amino]methylene]propanedioic acid CAS Name: 2-[cyclopropyl-[[6-(4-ethoxycarbonyl-1-piperazinyl)-5-fluoro-2-pyridinyl]amino]methylidene]propanedioic acid IUPAC Name: 2-[cyclopropyl-[[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoropyridin-2-yl]amino]methylidene]propanedioic acid Traditional Name: 2-[[[6-(4-carbethoxypiperazino)-5-fluoro-2-pyridyl]amino]-cyclopropyl-methylene]malonic acid Formula: C19H23FN4O6 MolecularWeight: 422.407523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=CC(=N2)NC(=C(C(=O)O)C(=O)O)C3CC3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=CC(=N2)NC(=C(C(=O)O)C(=O)O)C3CC3)F

InChI

InChI=1S/C19H23FN4O6/c1-2-30-19(29)24-9-7-23(8-10-24)16-12(20)5-6-13(22-16)21-15(11-3-4-11)14(17(25)26)18(27)28/h5-6,11H,2-4,7-10H2,1H3,(H,21,22)(H,25,26)(H,27,28)