(E)-but-2-enedioic acid; 1-(3-ethoxypyridin-2-yl)-4-[4-(4-fluorophenyl)butyl]piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-(3-ethoxypyridin-2-yl)-4-[4-(4-fluorophenyl)butyl]piperazine Openeye Name: 1-(3-ethoxy-2-pyridyl)-4-[4-(4-fluorophenyl)butyl]piperazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(3-ethoxy-2-pyridinyl)-4-[4-(4-fluorophenyl)butyl]piperazine IUPAC Name: (E)-but-2-enedioic acid; 1-(3-ethoxypyridin-2-yl)-4-[4-(4-fluorophenyl)butyl]piperazine Traditional Name: 1-(3-ethoxy-2-pyridyl)-4-[4-(4-fluorophenyl)butyl]piperazine; fumaric acid Formula: C25H32FN3O5 MolecularWeight: 473.537083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N=CC=C1)N2CCN(CC2)CCCCC3=CC=C(C=C3)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC1=C(N=CC=C1)N2CCN(CC2)CCCCC3=CC=C(C=C3)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H28FN3O.C4H4O4/c1-2-26-20-7-5-12-23-21(20)25-16-14-24(15-17-25)13-4-3-6-18-8-10-19(22)11-9-18;5-3(6)1-2-4(7)8/h5,7-12H,2-4,6,13-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+