4-(2-octanoyloxyethyl)pyridine-3-carboxylic acid

Systemtic Name: 4-(2-octanoyloxyethyl)pyridine-3-carboxylic acid Openeye Name: 4-(2-octanoyloxyethyl)pyridine-3-carboxylic acid CAS Name: 4-[2-(1-oxooctoxy)ethyl]-3-pyridinecarboxylic acid IUPAC Name: 4-(2-octanoyloxyethyl)pyridine-3-carboxylic acid Traditional Name: 4-(2-caprylyloxyethyl)nicotinic acid Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCC1=C(C=NC=C1)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)OCCC1=C(C=NC=C1)C(=O)O

InChI

InChI=1S/C16H23NO4/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)