heptyl pyridine-4-carboxylate

Systemtic Name: heptyl pyridine-4-carboxylate Openeye Name: heptyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid heptyl ester IUPAC Name: heptyl pyridine-4-carboxylate Traditional Name: isonicotinic acid heptyl ester Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=NC=C1

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=NC=C1

InChI

InChI=1S/C13H19NO2/c1-2-3-4-5-6-11-16-13(15)12-7-9-14-10-8-12/h7-10H,2-6,11H2,1H3