ethanedioic acid; 4-fluoranyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]aniline

Systemtic Name: ethanedioic acid; 4-fluoranyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]aniline Openeye Name: 4-fluoro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]aniline; oxalic acid CAS Name: 4-fluoro-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]aniline; oxalic acid IUPAC Name: 4-fluoro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]aniline; oxalic acid Traditional Name: (4-fluorophenyl)-[4-[4-(2-methoxyphenyl)piperazino]butyl]amine; oxalic acid Formula: C23H30FN3O5 MolecularWeight: 447.499803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCNC3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCNC3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28FN3O.C2H2O4/c1-26-21-7-3-2-6-20(21)25-16-14-24(15-17-25)13-5-4-12-23-19-10-8-18(22)9-11-19;3-1(4)2(5)6/h2-3,6-11,23H,4-5,12-17H2,1H3;(H,3,4)(H,5,6)