[2,4-bis(fluoranyl)phenyl]-piperidin-4-yl-methanone; (E)-but-2-enedioic acid

Systemtic Name: [2,4-bis(fluoranyl)phenyl]-piperidin-4-yl-methanone; (E)-but-2-enedioic acid Openeye Name: (2,4-difluorophenyl)-(4-piperidyl)methanone; fumaric acid CAS Name: (E)-2-butenedioic acid; (2,4-difluorophenyl)-(4-piperidinyl)methanone IUPAC Name: (E)-but-2-enedioic acid; (2,4-difluorophenyl)-piperidin-4-ylmethanone Traditional Name: (2,4-difluorophenyl)-(4-piperidyl)methanone; fumaric acid Formula: C16H17F2NO5 MolecularWeight: 341.306686

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)C2=C(C=C(C=C2)F)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC1C(=O)C2=C(C=C(C=C2)F)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H13F2NO.C4H4O4/c13-9-1-2-10(11(14)7-9)12(16)8-3-5-15-6-4-8;5-3(6)1-2-4(7)8/h1-2,7-8,15H,3-6H2;1-2H,(H,5,6)(H,7,8)/b;2-1+