diethyl 2-[(1S)-3-oxidanylidene-1,3-dipyridin-3-yl-propyl]propanedioate

Systemtic Name: diethyl 2-[(1S)-3-oxidanylidene-1,3-dipyridin-3-yl-propyl]propanedioate Openeye Name: diethyl 2-[(1S)-3-oxo-1,3-bis(3-pyridyl)propyl]propanedioate CAS Name: 2-[(1S)-3-oxo-1,3-bis(3-pyridinyl)propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1S)-3-oxo-1,3-dipyridin-3-ylpropyl]propanedioate Traditional Name: 2-[(1S)-3-keto-1,3-bis(3-pyridyl)propyl]malonic acid diethyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC(=O)C1=CN=CC=C1)C2=CN=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@H](CC(=O)C1=CN=CC=C1)C2=CN=CC=C2)C(=O)OCC

InChI

InChI=1S/C20H22N2O5/c1-3-26-19(24)18(20(25)27-4-2)16(14-7-5-9-21-12-14)11-17(23)15-8-6-10-22-13-15/h5-10,12-13,16,18H,3-4,11H2,1-2H3/t16-/m1/s1