3-[4-(2-ethylhexanoyl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(2-ethylhexanoyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(2-ethylhexanoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(2-ethyl-1-oxohexyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2-ethylhexanoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(2-ethylhexanoyl)piperazino]propionic acid Formula: C15H28N2O3 MolecularWeight: 284.39442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28N2O3/c1-3-5-6-13(4-2)15(20)17-11-9-16(10-12-17)8-7-14(18)19/h13H,3-12H2,1-2H3,(H,18,19)