4-(6-ethyl-2-pyrimidin-2-yl-pyridin-3-yl)oxy-6-oxidanyl-quinoline-7-carboxylic acid

Systemtic Name: 4-(6-ethyl-2-pyrimidin-2-yl-pyridin-3-yl)oxy-6-oxidanyl-quinoline-7-carboxylic acid Openeye Name: 4-[(6-ethyl-2-pyrimidin-2-yl-3-pyridyl)oxy]-6-hydroxy-quinoline-7-carboxylic acid CAS Name: 4-[[6-ethyl-2-(2-pyrimidinyl)-3-pyridinyl]oxy]-6-hydroxy-7-quinolinecarboxylic acid IUPAC Name: 4-(6-ethyl-2-pyrimidin-2-ylpyridin-3-yl)oxy-6-hydroxyquinoline-7-carboxylic acid Traditional Name: 4-[[6-ethyl-2-(2-pyrimidyl)-3-pyridyl]oxy]-6-hydroxy-quinoline-7-carboxylic acid Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)C(=O)O)O)C4=NC=CC=N4

Isomeric SMILES

CCC1=NC(=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)C(=O)O)O)C4=NC=CC=N4

InChI

InChI=1S/C21H16N4O4/c1-2-12-4-5-18(19(25-12)20-23-7-3-8-24-20)29-17-6-9-22-15-10-14(21(27)28)16(26)11-13(15)17/h3-11,26H,2H2,1H3,(H,27,28)