3-[4-(5-methylfuran-2-yl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(5-methylfuran-2-yl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-methyl-2-furanyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(5-methyl-2-furoyl)piperazino]propionic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=CC=C(O1)C(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C13H18N2O4/c1-10-2-3-11(19-10)13(18)15-8-6-14(7-9-15)5-4-12(16)17/h2-3H,4-9H2,1H3,(H,16,17)