pyridin-4-ylmethyl octanoate

Systemtic Name: pyridin-4-ylmethyl octanoate Openeye Name: 4-pyridylmethyl octanoate CAS Name: octanoic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl octanoate Traditional Name: caprylic acid 4-pyridylmethyl ester Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1=CC=NC=C1

Isomeric SMILES

CCCCCCCC(=O)OCC1=CC=NC=C1

InChI

InChI=1S/C14H21NO2/c1-2-3-4-5-6-7-14(16)17-12-13-8-10-15-11-9-13/h8-11H,2-7,12H2,1H3