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

Systemtic Name: ethanedioic acid; (4-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-(2-furylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (4-fluorophenyl)-[4-(2-furanylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (4-fluorophenyl)-[4-(2-furfuryl)piperazino]methanone; oxalic acid Formula: C18H19FN2O6 MolecularWeight: 378.351663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN2O2.C2H2O4/c17-14-5-3-13(4-6-14)16(20)19-9-7-18(8-10-19)12-15-2-1-11-21-15;3-1(4)2(5)6/h1-6,11H,7-10,12H2;(H,3,4)(H,5,6)