methyl 4-oxidanylidene-4-(2-pyridin-4-ylethylamino)butanoate

Systemtic Name: methyl 4-oxidanylidene-4-(2-pyridin-4-ylethylamino)butanoate Openeye Name: methyl 4-oxo-4-[2-(4-pyridyl)ethylamino]butanoate CAS Name: 4-oxo-4-(2-pyridin-4-ylethylamino)butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-(2-pyridin-4-ylethylamino)butanoate Traditional Name: 4-keto-4-[2-(4-pyridyl)ethylamino]butyric acid methyl ester Formula: C12H16N2O3 MolecularWeight: 236.26704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NCCC1=CC=NC=C1

Isomeric SMILES

COC(=O)CCC(=O)NCCC1=CC=NC=C1

InChI

InChI=1S/C12H16N2O3/c1-17-12(16)3-2-11(15)14-9-6-10-4-7-13-8-5-10/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,15)