2-[3-cyano-5-ethoxy-4-(4-fluorophenyl)phenyl]-5-oxidanyl-pyridine-4-carboxylic acid

Systemtic Name: 2-[3-cyano-5-ethoxy-4-(4-fluorophenyl)phenyl]-5-oxidanyl-pyridine-4-carboxylic acid Openeye Name: 2-[3-cyano-5-ethoxy-4-(4-fluorophenyl)phenyl]-5-hydroxy-pyridine-4-carboxylic acid CAS Name: 2-[3-cyano-5-ethoxy-4-(4-fluorophenyl)phenyl]-5-hydroxy-4-pyridinecarboxylic acid IUPAC Name: 2-[3-cyano-5-ethoxy-4-(4-fluorophenyl)phenyl]-5-hydroxypyridine-4-carboxylic acid Traditional Name: 2-[3-cyano-5-ethoxy-4-(4-fluorophenyl)phenyl]-5-hydroxy-isonicotinic acid Formula: C21H15FN2O4 MolecularWeight: 378.353203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2=NC=C(C(=C2)C(=O)O)O)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2=NC=C(C(=C2)C(=O)O)O)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H15FN2O4/c1-2-28-19-8-13(17-9-16(21(26)27)18(25)11-24-17)7-14(10-23)20(19)12-3-5-15(22)6-4-12/h3-9,11,25H,2H2,1H3,(H,26,27)