9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-6-fluoranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carboxylic acid

Systemtic Name: 9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-6-fluoranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carboxylic acid Openeye Name: 9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-6-fluoro-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylic acid CAS Name: 9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-6-fluoro-4-oxo-3-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-6-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid Traditional Name: 9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-6-fluoro-4-keto-pyrido[1,2-a]pyrimidine-3-carboxylic acid Formula: C21H19FN2O6 MolecularWeight: 414.383763

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(N3C2=NC=C(C3=O)C(=O)O)F

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(N3C2=NC=C(C3=O)C(=O)O)F

InChI

InChI=1S/C21H19FN2O6/c1-3-4-14-16(7-6-13(11(2)25)18(14)26)30-10-12-5-8-17(22)24-19(12)23-9-15(20(24)27)21(28)29/h5-9,26H,3-4,10H2,1-2H3,(H,28,29)