ethyl 3-[2-chloranyl-5-(oxan-4-ylmethyl)pyridin-3-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[2-chloranyl-5-(oxan-4-ylmethyl)pyridin-3-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[2-chloro-5-(tetrahydropyran-4-ylmethyl)-3-pyridyl]-3-oxo-propanoate CAS Name: 3-[2-chloro-5-(4-oxanylmethyl)-3-pyridinyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[2-chloro-5-(oxan-4-ylmethyl)pyridin-3-yl]-3-oxopropanoate Traditional Name: 3-[2-chloro-5-(tetrahydropyran-4-ylmethyl)-3-pyridyl]-3-keto-propionic acid ethyl ester Formula: C16H20ClNO4 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=CC(=CN=C1Cl)CC2CCOCC2

Isomeric SMILES

CCOC(=O)CC(=O)C1=CC(=CN=C1Cl)CC2CCOCC2

InChI

InChI=1S/C16H20ClNO4/c1-2-22-15(20)9-14(19)13-8-12(10-18-16(13)17)7-11-3-5-21-6-4-11/h8,10-11H,2-7,9H2,1H3