(E)-but-2-enedioic acid; [3-(4-fluoranylphenoxy)azetidin-1-yl]-piperazin-1-yl-methanone

Systemtic Name: (E)-but-2-enedioic acid; [3-(4-fluoranylphenoxy)azetidin-1-yl]-piperazin-1-yl-methanone Openeye Name: [3-(4-fluorophenoxy)azetidin-1-yl]-piperazin-1-yl-methanone; fumaric acid CAS Name: (E)-2-butenedioic acid; [3-(4-fluorophenoxy)-1-azetidinyl]-(1-piperazinyl)methanone IUPAC Name: (E)-but-2-enedioic acid; [3-(4-fluorophenoxy)azetidin-1-yl]-piperazin-1-ylmethanone Traditional Name: [3-(4-fluorophenoxy)azetidin-1-yl]-piperazino-methanone; fumaric acid Formula: C18H22FN3O6 MolecularWeight: 395.382183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)N2CC(C2)OC3=CC=C(C=C3)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C(=O)N2CC(C2)OC3=CC=C(C=C3)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H18FN3O2.C4H4O4/c15-11-1-3-12(4-2-11)20-13-9-18(10-13)14(19)17-7-5-16-6-8-17;5-3(6)1-2-4(7)8/h1-4,13,16H,5-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+