4-(2-octanoyloxyethyl)pyridine-3-carboxylate chloride

Systemtic Name: 4-(2-octanoyloxyethyl)pyridine-3-carboxylate chloride Openeye Name: 4-(2-octanoyloxyethyl)pyridine-3-carboxylate chloride CAS Name: 4-[2-(1-oxooctoxy)ethyl]-3-pyridinecarboxylate chloride IUPAC Name: 4-(2-octanoyloxyethyl)pyridine-3-carboxylate chloride Traditional Name: 4-(2-caprylyloxyethyl)nicotinate chloride Formula: C16H22ClNO4-2 MolecularWeight: 327.80318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCC1=C(C=NC=C1)C(=O)[O-].[Cl-]

Isomeric SMILES

CCCCCCCC(=O)OCCC1=C(C=NC=C1)C(=O)[O-].[Cl-]

InChI

InChI=1S/C16H23NO4.ClH/c1-2-3-4-5-6-7-15(18)21-11-9-13-8-10-17-12-14(13)16(19)20;/h8,10,12H,2-7,9,11H2,1H3,(H,19,20);1H/p-2