4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-4-carboxylic acid CAS Name: 4-ethyl-1-(2-methyl-4-pyrimidinyl)-4-piperidinecarboxylic acid IUPAC Name: 4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 4-ethyl-1-(2-methylpyrimidin-4-yl)isonipecotic acid Formula: C13H19N3O2 MolecularWeight: 249.30886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCN(CC1)C2=NC(=NC=C2)C)C(=O)O

Isomeric SMILES

CCC1(CCN(CC1)C2=NC(=NC=C2)C)C(=O)O

InChI

InChI=1S/C13H19N3O2/c1-3-13(12(17)18)5-8-16(9-6-13)11-4-7-14-10(2)15-11/h4,7H,3,5-6,8-9H2,1-2H3,(H,17,18)