ethanedioic acid; 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: ethanedioic acid; 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-(2-furylmethyl)piperazin-1-yl]-2,2-diphenyl-ethanone; oxalic acid CAS Name: 1-[4-(2-furanylmethyl)-1-piperazinyl]-2,2-diphenylethanone; oxalic acid IUPAC Name: 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone; oxalic acid Traditional Name: 1-[4-(2-furfuryl)piperazino]-2,2-diphenyl-ethanone; oxalic acid Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CO2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CO2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H24N2O2.C2H2O4/c26-23(25-15-13-24(14-16-25)18-21-12-7-17-27-21)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20;3-1(4)2(5)6/h1-12,17,22H,13-16,18H2;(H,3,4)(H,5,6)