methyl 3-[3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoyloxymethyl]benzoate

Systemtic Name: methyl 3-[3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoyloxymethyl]benzoate Openeye Name: methyl 3-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyloxymethyl]benzoate CAS Name: 3-[[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyloxymethyl]benzoate Traditional Name: 3-[3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propanoyloxymethyl]benzoic acid methyl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=CC=CC(=C2)C(=O)OC)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=CC=CC(=C2)C(=O)OC)C)C#N

InChI

InChI=1S/C20H20N2O5/c1-12-16(13(2)22-19(24)17(12)10-21)7-8-18(23)27-11-14-5-4-6-15(9-14)20(25)26-3/h4-6,9H,7-8,11H2,1-3H3,(H,22,24)