ethanedioic acid; 1-[(4-ethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-[(4-ethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-ethoxybenzyl)-4-(3-fluorobenzyl)piperazine; oxalic acid Formula: C22H27FN2O5 MolecularWeight: 418.458583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC(=CC=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC(=CC=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25FN2O.C2H2O4/c1-2-24-20-8-6-17(7-9-20)15-22-10-12-23(13-11-22)16-18-4-3-5-19(21)14-18;3-1(4)2(5)6/h3-9,14H,2,10-13,15-16H2,1H3;(H,3,4)(H,5,6)