3-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(3,5,5-trimethyl-1-oxohexyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3,5,5-trimethylhexanoyl)piperazino]propionic acid Formula: C16H30N2O3 MolecularWeight: 298.421

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)CCC(=O)O)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)CCC(=O)O)CC(C)(C)C

InChI

InChI=1S/C16H30N2O3/c1-13(12-16(2,3)4)11-14(19)18-9-7-17(8-10-18)6-5-15(20)21/h13H,5-12H2,1-4H3,(H,20,21)