(5-phenyl-1,2-oxazol-3-yl)methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 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 (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 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 (5-phenylisoxazol-3-yl)methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=NOC(=C2)C3=CC=CC=C3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=NOC(=C2)C3=CC=CC=C3)C)C#N

InChI

InChI=1S/C21H19N3O4/c1-13-17(14(2)23-21(26)18(13)11-22)8-9-20(25)27-12-16-10-19(28-24-16)15-6-4-3-5-7-15/h3-7,10H,8-9,12H2,1-2H3,(H,23,26)