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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C13H18N2O4/c1-10-11(3-9-19-10)13(18)15-7-5-14(6-8-15)4-2-12(16)17/h3,9H,2,4-8H2,1H3,(H,16,17)