ethanedioic acid; 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methoxy-phenol

Systemtic Name: ethanedioic acid; 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methoxy-phenol Openeye Name: 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methoxy-phenol; oxalic acid CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-2-methoxyphenol; oxalic acid IUPAC Name: 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol; oxalic acid Traditional Name: 4-[[4-(4-fluorophenyl)piperazino]methyl]-2-methoxy-phenol; oxalic acid Formula: C20H23FN2O6 MolecularWeight: 406.404823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=C(C=C3)F)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=C(C=C3)F)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21FN2O2.C2H2O4/c1-23-18-12-14(2-7-17(18)22)13-20-8-10-21(11-9-20)16-5-3-15(19)4-6-16;3-1(4)2(5)6/h2-7,12,22H,8-11,13H2,1H3;(H,3,4)(H,5,6)