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

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)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 (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-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 (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCC3=C(NC(=O)C(=C3C)C#N)C)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCC3=C(NC(=O)C(=C3C)C#N)C)Cl

InChI

InChI=1S/C22H20ClN3O3/c1-12-15(14(3)25-22(28)17(12)10-24)8-9-20(27)29-11-19-21(23)13(2)16-6-4-5-7-18(16)26-19/h4-7H,8-9,11H2,1-3H3,(H,25,28)