ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(3-fluorobenzyl)piperazine; oxalic acid Formula: C23H29FN2O6 MolecularWeight: 448.484563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O2.C2H2O4/c1-3-26-21-14-18(7-8-20(21)25-2)16-24-11-9-23(10-12-24)15-17-5-4-6-19(22)13-17;3-1(4)2(5)6/h4-8,13-14H,3,9-12,15-16H2,1-2H3;(H,3,4)(H,5,6)