2-heptan-2-yloxypyridine-3-carboxamide hydrate

Systemtic Name: 2-heptan-2-yloxypyridine-3-carboxamide hydrate Openeye Name: 2-(1-methylhexoxy)pyridine-3-carboxamide hydrate CAS Name: 2-heptan-2-yloxy-3-pyridinecarboxamide hydrate IUPAC Name: 2-heptan-2-yloxypyridine-3-carboxamide hydrate Traditional Name: 2-(1-methylhexoxy)nicotinamide hydrate Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC1=C(C=CC=N1)C(=O)N.O

Isomeric SMILES

CCCCCC(C)OC1=C(C=CC=N1)C(=O)N.O

InChI

InChI=1S/C13H20N2O2.H2O/c1-3-4-5-7-10(2)17-13-11(12(14)16)8-6-9-15-13;/h6,8-10H,3-5,7H2,1-2H3,(H2,14,16);1H2