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

Systemtic Name: quinolin-2-ylmethyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: 2-quinolylmethyl 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-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl 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-quinolylmethyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=NC3=CC=CC=C3C=C2)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=NC3=CC=CC=C3C=C2)C)C#N

InChI

InChI=1S/C21H19N3O3/c1-13-17(14(2)23-21(26)18(13)11-22)9-10-20(25)27-12-16-8-7-15-5-3-4-6-19(15)24-16/h3-8H,9-10,12H2,1-2H3,(H,23,26)