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

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: (2-chloro-3-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 (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-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 (2-chloro-3-quinolyl)methyl ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl)C)C#N

InChI

InChI=1S/C21H18ClN3O3/c1-12-16(13(2)24-21(27)17(12)10-23)7-8-19(26)28-11-15-9-14-5-3-4-6-18(14)25-20(15)22/h3-6,9H,7-8,11H2,1-2H3,(H,24,27)