1-[2-(4,6-dimethyl-2-oxidanylidene-1H-pyrimidin-5-yl)ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4,6-dimethyl-2-oxidanylidene-1H-pyrimidin-5-yl)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2-keto-4,6-dimethyl-1H-pyrimidin-5-yl)acetyl]isonipecotic acid Formula: C14H19N3O4 MolecularWeight: 293.31836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)C)CC(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)C)CC(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H19N3O4/c1-8-11(9(2)16-14(21)15-8)7-12(18)17-5-3-10(4-6-17)13(19)20/h10H,3-7H2,1-2H3,(H,19,20)(H,15,16,21)