methyl 6-oxidanylidene-7-pyridin-3-yl-heptanoate

Systemtic Name: methyl 6-oxidanylidene-7-pyridin-3-yl-heptanoate Openeye Name: methyl 6-oxo-7-(3-pyridyl)heptanoate CAS Name: 6-oxo-7-(3-pyridinyl)heptanoic acid methyl ester IUPAC Name: methyl 6-oxo-7-pyridin-3-ylheptanoate Traditional Name: 6-keto-7-(3-pyridyl)enanthic acid methyl ester Formula: C13H17NO3 MolecularWeight: 235.27898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(=O)CC1=CN=CC=C1

Isomeric SMILES

COC(=O)CCCCC(=O)CC1=CN=CC=C1

InChI

InChI=1S/C13H17NO3/c1-17-13(16)7-3-2-6-12(15)9-11-5-4-8-14-10-11/h4-5,8,10H,2-3,6-7,9H2,1H3