5-pyridin-3-ylpentan-2-yl butanoate

Systemtic Name: 5-pyridin-3-ylpentan-2-yl butanoate Openeye Name: [1-methyl-4-(3-pyridyl)butyl] butanoate CAS Name: butanoic acid 5-(3-pyridinyl)pentan-2-yl ester IUPAC Name: 5-pyridin-3-ylpentan-2-yl butanoate Traditional Name: butyric acid [1-methyl-4-(3-pyridyl)butyl] ester Formula: C14H21NO2 MolecularWeight: 235.32204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)CCCC1=CN=CC=C1

Isomeric SMILES

CCCC(=O)OC(C)CCCC1=CN=CC=C1

InChI

InChI=1S/C14H21NO2/c1-3-6-14(16)17-12(2)7-4-8-13-9-5-10-15-11-13/h5,9-12H,3-4,6-8H2,1-2H3