2-(3,5-dimethylphenoxy)ethyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)CCC2=C(NC(=O)C(=C2C)C#N)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)CCC2=C(NC(=O)C(=C2C)C#N)C)C

InChI

InChI=1S/C21H24N2O4/c1-13-9-14(2)11-17(10-13)26-7-8-27-20(24)6-5-18-15(3)19(12-22)21(25)23-16(18)4/h9-11H,5-8H2,1-4H3,(H,23,25)