4-bromanyl-2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-(2-furylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-(2-furanylmethyl)-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[[4-(2-furfuryl)piperazino]methyl]phenol; oxalic acid Formula: C18H21BrN2O6 MolecularWeight: 441.27314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CO2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CO2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19BrN2O2.C2H2O4/c17-14-3-4-16(20)13(10-14)11-18-5-7-19(8-6-18)12-15-2-1-9-21-15;3-1(4)2(5)6/h1-4,9-10,20H,5-8,11-12H2;(H,3,4)(H,5,6)