1-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]isonipecotic acid Formula: C12H19N3O3 MolecularWeight: 253.29756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CN1CCC(CC1)C(=O)O

Isomeric SMILES

CN(CCC#N)C(=O)CN1CCC(CC1)C(=O)O

InChI

InChI=1S/C12H19N3O3/c1-14(6-2-5-13)11(16)9-15-7-3-10(4-8-15)12(17)18/h10H,2-4,6-9H2,1H3,(H,17,18)