ethyl 2-(5,6-dimethyl-1H-isoindol-1-yl)-3-oxidanylidene-2-pyridin-3-yl-propanoate

Systemtic Name: ethyl 2-(5,6-dimethyl-1H-isoindol-1-yl)-3-oxidanylidene-2-pyridin-3-yl-propanoate Openeye Name: ethyl 2-(5,6-dimethyl-1H-isoindol-1-yl)-3-oxo-2-(3-pyridyl)propanoate CAS Name: 2-(5,6-dimethyl-1H-isoindol-1-yl)-3-oxo-2-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-(5,6-dimethyl-1H-isoindol-1-yl)-3-oxo-2-pyridin-3-ylpropanoate Traditional Name: 2-(5,6-dimethyl-1H-isoindol-1-yl)-3-keto-2-(3-pyridyl)propionic acid ethyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=O)(C1C2=CC(=C(C=C2C=N1)C)C)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C(C=O)(C1C2=CC(=C(C=C2C=N1)C)C)C3=CN=CC=C3

InChI

InChI=1S/C20H20N2O3/c1-4-25-19(24)20(12-23,16-6-5-7-21-11-16)18-17-9-14(3)13(2)8-15(17)10-22-18/h5-12,18H,4H2,1-3H3