1-[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(butylcarbamoylamino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[[butylamino(oxo)methyl]amino]-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(butylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(butylcarbamoylamino)-2-keto-ethyl]nipecotic acid Formula: C13H23N3O4 MolecularWeight: 285.33942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CN1CCCC(C1)C(=O)O

Isomeric SMILES

CCCCNC(=O)NC(=O)CN1CCCC(C1)C(=O)O

InChI

InChI=1S/C13H23N3O4/c1-2-3-6-14-13(20)15-11(17)9-16-7-4-5-10(8-16)12(18)19/h10H,2-9H2,1H3,(H,18,19)(H2,14,15,17,20)