(E)-but-2-enedioic acid; (3-chloranyl-4-fluoranyl-phenyl)-[4-[[(5-chloranylpyridin-2-yl)methylamino]methyl]-4-fluoranyl-piperidin-1-yl]methanone

Systemtic Name: (E)-but-2-enedioic acid; (3-chloranyl-4-fluoranyl-phenyl)-[4-[[(5-chloranylpyridin-2-yl)methylamino]methyl]-4-fluoranyl-piperidin-1-yl]methanone Openeye Name: (3-chloro-4-fluoro-phenyl)-[4-[[(5-chloro-2-pyridyl)methylamino]methyl]-4-fluoro-1-piperidyl]methanone; fumaric acid CAS Name: (E)-2-butenedioic acid; (3-chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoro-1-piperidinyl]methanone IUPAC Name: (E)-but-2-enedioic acid; (3-chloro-4-fluorophenyl)-[4-[[(5-chloropyridin-2-yl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone Traditional Name: (3-chloro-4-fluoro-phenyl)-[4-[[(5-chloro-2-pyridyl)methylamino]methyl]-4-fluoro-piperidino]methanone; fumaric acid Formula: C23H23Cl2F2N3O5 MolecularWeight: 530.348626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNCC2=NC=C(C=C2)Cl)F)C(=O)C3=CC(=C(C=C3)F)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1(CNCC2=NC=C(C=C2)Cl)F)C(=O)C3=CC(=C(C=C3)F)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H19Cl2F2N3O.C4H4O4/c20-14-2-3-15(25-10-14)11-24-12-19(23)5-7-26(8-6-19)18(27)13-1-4-17(22)16(21)9-13;5-3(6)1-2-4(7)8/h1-4,9-10,24H,5-8,11-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+