2-methylhexyl pyridine-3-carboxylate

Systemtic Name: 2-methylhexyl pyridine-3-carboxylate Openeye Name: 2-methylhexyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-methylhexyl ester IUPAC Name: 2-methylhexyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-methylhexyl ester Formula: C13H19NO2 MolecularWeight: 221.29546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)COC(=O)C1=CN=CC=C1

Isomeric SMILES

CCCCC(C)COC(=O)C1=CN=CC=C1

InChI

InChI=1S/C13H19NO2/c1-3-4-6-11(2)10-16-13(15)12-7-5-8-14-9-12/h5,7-9,11H,3-4,6,10H2,1-2H3