1-[1-(butylamino)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(butylamino)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(butylamino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(butylamino)-1-oxopropan-2-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(butylamino)-2-keto-1-methyl-ethyl]isonipecotic acid Formula: C13H24N2O3 MolecularWeight: 256.34126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)N1CCC(CC1)C(=O)O

Isomeric SMILES

CCCCNC(=O)C(C)N1CCC(CC1)C(=O)O

InChI

InChI=1S/C13H24N2O3/c1-3-4-7-14-12(16)10(2)15-8-5-11(6-9-15)13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)