3-[5-cyano-1-(3-ethoxypropyl)-2,4-dimethyl-6-oxidanylidene-pyridin-3-yl]propanoic acid

Systemtic Name: 3-[5-cyano-1-(3-ethoxypropyl)-2,4-dimethyl-6-oxidanylidene-pyridin-3-yl]propanoic acid Openeye Name: 3-[5-cyano-1-(3-ethoxypropyl)-2,4-dimethyl-6-oxo-3-pyridyl]propanoic acid CAS Name: 3-[5-cyano-1-(3-ethoxypropyl)-2,4-dimethyl-6-oxo-3-pyridinyl]propanoic acid IUPAC Name: 3-[5-cyano-1-(3-ethoxypropyl)-2,4-dimethyl-6-oxopyridin-3-yl]propanoic acid Traditional Name: 3-[5-cyano-1-(3-ethoxypropyl)-6-keto-2,4-dimethyl-3-pyridyl]propionic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=C(C(=C(C1=O)C#N)C)CCC(=O)O)C

Isomeric SMILES

CCOCCCN1C(=C(C(=C(C1=O)C#N)C)CCC(=O)O)C

InChI

InChI=1S/C16H22N2O4/c1-4-22-9-5-8-18-12(3)13(6-7-15(19)20)11(2)14(10-17)16(18)21/h4-9H2,1-3H3,(H,19,20)