ethanoic acid; 4-oxidanylidene-3-(piperidin-1-ylmethylamino)-4-propan-2-yloxy-butanoic acid

Systemtic Name: ethanoic acid; 4-oxidanylidene-3-(piperidin-1-ylmethylamino)-4-propan-2-yloxy-butanoic acid Openeye Name: acetic acid; 4-isopropoxy-4-oxo-3-(1-piperidylmethylamino)butanoic acid CAS Name: acetic acid; 4-oxo-3-(1-piperidinylmethylamino)-4-propan-2-yloxybutanoic acid IUPAC Name: acetic acid; 4-oxo-3-(piperidin-1-ylmethylamino)-4-propan-2-yloxybutanoic acid Traditional Name: acetic acid; 4-isopropoxy-4-keto-3-(piperidinomethylamino)butyric acid Formula: C15H28N2O6 MolecularWeight: 332.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC(=O)O)NCN1CCCCC1.CC(=O)O

Isomeric SMILES

CC(C)OC(=O)C(CC(=O)O)NCN1CCCCC1.CC(=O)O

InChI

InChI=1S/C13H24N2O4.C2H4O2/c1-10(2)19-13(18)11(8-12(16)17)14-9-15-6-4-3-5-7-15;1-2(3)4/h10-11,14H,3-9H2,1-2H3,(H,16,17);1H3,(H,3,4)