2-[3-cyano-4-(6-methoxypyridin-3-yl)-5-methyl-phenyl]-5-oxidanyl-pyridine-4-carboxylic acid

Systemtic Name: 2-[3-cyano-4-(6-methoxypyridin-3-yl)-5-methyl-phenyl]-5-oxidanyl-pyridine-4-carboxylic acid Openeye Name: 2-[3-cyano-4-(6-methoxy-3-pyridyl)-5-methyl-phenyl]-5-hydroxy-pyridine-4-carboxylic acid CAS Name: 2-[3-cyano-4-(6-methoxy-3-pyridinyl)-5-methylphenyl]-5-hydroxy-4-pyridinecarboxylic acid IUPAC Name: 2-[3-cyano-4-(6-methoxypyridin-3-yl)-5-methylphenyl]-5-hydroxypyridine-4-carboxylic acid Traditional Name: 2-[3-cyano-4-(6-methoxy-3-pyridyl)-5-methyl-phenyl]-5-hydroxy-isonicotinic acid Formula: C20H15N3O4 MolecularWeight: 361.3508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=NC=C(C(=C2)C(=O)O)O)C#N)C3=CN=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=NC=C(C(=C2)C(=O)O)O)C#N)C3=CN=C(C=C3)OC

InChI

InChI=1S/C20H15N3O4/c1-11-5-13(16-7-15(20(25)26)17(24)10-22-16)6-14(8-21)19(11)12-3-4-18(27-2)23-9-12/h3-7,9-10,24H,1-2H3,(H,25,26)