ethanedioic acid; [4-(furan-2-ylmethyl)piperazin-1-yl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-(furan-2-ylmethyl)piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(2-furylmethyl)piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-(2-furanylmethyl)-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-(furan-2-ylmethyl)piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(2-furfuryl)piperazino]-phenyl-methanone; oxalic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CO2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CO2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18N2O2.C2H2O4/c19-16(14-5-2-1-3-6-14)18-10-8-17(9-11-18)13-15-7-4-12-20-15;3-1(4)2(5)6/h1-7,12H,8-11,13H2;(H,3,4)(H,5,6)