ethanedioic acid; 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: ethanedioic acid; 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(2-furylmethyl)piperazin-1-yl]-3-methyl-butan-1-one; oxalic acid CAS Name: 1-[4-(2-furanylmethyl)-1-piperazinyl]-3-methyl-1-butanone; oxalic acid IUPAC Name: 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one; oxalic acid Traditional Name: 1-[4-(2-furfuryl)piperazino]-3-methyl-butan-1-one; oxalic acid Formula: C16H24N2O6 MolecularWeight: 340.37156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)CC2=CC=CO2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)CC2=CC=CO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H22N2O2.C2H2O4/c1-12(2)10-14(17)16-7-5-15(6-8-16)11-13-4-3-9-18-13;3-1(4)2(5)6/h3-4,9,12H,5-8,10-11H2,1-2H3;(H,3,4)(H,5,6)