2-[3-cyano-4-(1,4-oxazepan-4-yl)phenyl]-5-oxidanyl-pyridine-4-carboxylic acid

Systemtic Name: 2-[3-cyano-4-(1,4-oxazepan-4-yl)phenyl]-5-oxidanyl-pyridine-4-carboxylic acid Openeye Name: 2-[3-cyano-4-(1,4-oxazepan-4-yl)phenyl]-5-hydroxy-pyridine-4-carboxylic acid CAS Name: 2-[3-cyano-4-(1,4-oxazepan-4-yl)phenyl]-5-hydroxy-4-pyridinecarboxylic acid IUPAC Name: 2-[3-cyano-4-(1,4-oxazepan-4-yl)phenyl]-5-hydroxypyridine-4-carboxylic acid Traditional Name: 2-[3-cyano-4-(1,4-oxazepan-4-yl)phenyl]-5-hydroxy-isonicotinic acid Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCOC1)C2=C(C=C(C=C2)C3=NC=C(C(=C3)C(=O)O)O)C#N

Isomeric SMILES

C1CN(CCOC1)C2=C(C=C(C=C2)C3=NC=C(C(=C3)C(=O)O)O)C#N

InChI

InChI=1S/C18H17N3O4/c19-10-13-8-12(15-9-14(18(23)24)17(22)11-20-15)2-3-16(13)21-4-1-6-25-7-5-21/h2-3,8-9,11,22H,1,4-7H2,(H,23,24)