1-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]nipecotic acid Formula: C12H19N3O3 MolecularWeight: 253.29756

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CN1CCCC(C1)C(=O)O

Isomeric SMILES

CN(CCC#N)C(=O)CN1CCCC(C1)C(=O)O

InChI

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