2-[3-fluoranyl-4-[6-(pyrrolidin-1-ylcarbonylamino)pyrimidin-4-yl]oxy-phenyl]propanedioic acid

Systemtic Name: 2-[3-fluoranyl-4-[6-(pyrrolidin-1-ylcarbonylamino)pyrimidin-4-yl]oxy-phenyl]propanedioic acid Openeye Name: 2-[3-fluoro-4-[6-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]oxy-phenyl]propanedioic acid CAS Name: 2-[3-fluoro-4-[[6-[[oxo(1-pyrrolidinyl)methyl]amino]-4-pyrimidinyl]oxy]phenyl]propanedioic acid IUPAC Name: 2-[3-fluoro-4-[6-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]oxyphenyl]propanedioic acid Traditional Name: 2-[3-fluoro-4-[6-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]oxy-phenyl]malonic acid Formula: C18H17FN4O6 MolecularWeight: 404.349183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)C(C(=O)O)C(=O)O)F

Isomeric SMILES

C1CCN(C1)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)C(C(=O)O)C(=O)O)F

InChI

InChI=1S/C18H17FN4O6/c19-11-7-10(15(16(24)25)17(26)27)3-4-12(11)29-14-8-13(20-9-21-14)22-18(28)23-5-1-2-6-23/h3-4,7-9,15H,1-2,5-6H2,(H,24,25)(H,26,27)(H,20,21,22,28)