ethyl 2-methyl-5-oxidanylidene-4-pyridin-4-yl-octanoate

Systemtic Name: ethyl 2-methyl-5-oxidanylidene-4-pyridin-4-yl-octanoate Openeye Name: ethyl 2-methyl-5-oxo-4-(4-pyridyl)octanoate CAS Name: 2-methyl-5-oxo-4-pyridin-4-yloctanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-oxo-4-pyridin-4-yloctanoate Traditional Name: 5-keto-2-methyl-4-(4-pyridyl)caprylic acid ethyl ester Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC(C)C(=O)OCC)C1=CC=NC=C1

Isomeric SMILES

CCCC(=O)C(CC(C)C(=O)OCC)C1=CC=NC=C1

InChI

InChI=1S/C16H23NO3/c1-4-6-15(18)14(13-7-9-17-10-8-13)11-12(3)16(19)20-5-2/h7-10,12,14H,4-6,11H2,1-3H3