2-[3-cyano-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-5-oxidanyl-pyridine-4-carboxylic acid

Systemtic Name: 2-[3-cyano-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-5-oxidanyl-pyridine-4-carboxylic acid Openeye Name: 2-[3-cyano-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-5-hydroxy-pyridine-4-carboxylic acid CAS Name: 2-[3-cyano-4-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]phenyl]-5-hydroxy-4-pyridinecarboxylic acid IUPAC Name: 2-[3-cyano-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-5-hydroxypyridine-4-carboxylic acid Traditional Name: 2-[3-cyano-4-[(2S)-2-(methoxymethyl)pyrrolidino]phenyl]-5-hydroxy-isonicotinic acid Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCCN1C2=C(C=C(C=C2)C3=NC=C(C(=C3)C(=O)O)O)C#N

Isomeric SMILES

COC[C@@H]1CCCN1C2=C(C=C(C=C2)C3=NC=C(C(=C3)C(=O)O)O)C#N

InChI

InChI=1S/C19H19N3O4/c1-26-11-14-3-2-6-22(14)17-5-4-12(7-13(17)9-20)16-8-15(19(24)25)18(23)10-21-16/h4-5,7-8,10,14,23H,2-3,6,11H2,1H3,(H,24,25)/t14-/m0/s1