1-[4-[ethanoyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-[ethanoyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylic acid CAS Name: 1-[4-[acetyl(methyl)amino]but-2-ynyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[acetyl(methyl)amino]but-2-ynyl]isonipecotic acid Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)CC#CCN1CCC(CC1)C(=O)O

Isomeric SMILES

CC(=O)N(C)CC#CCN1CCC(CC1)C(=O)O

InChI

InChI=1S/C13H20N2O3/c1-11(16)14(2)7-3-4-8-15-9-5-12(6-10-15)13(17)18/h12H,5-10H2,1-2H3,(H,17,18)