(E)-but-2-enedioic acid; N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-4-fluoranyl-benzamide

Systemtic Name: (E)-but-2-enedioic acid; N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[3-(1-ethyl-4-piperidyl)-1H-indol-5-yl]-4-fluoro-benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[3-(1-ethyl-4-piperidinyl)-1H-indol-5-yl]-4-fluorobenzamide IUPAC Name: (E)-but-2-enedioic acid; N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide Traditional Name: N-[3-(1-ethyl-4-piperidyl)-1H-indol-5-yl]-4-fluoro-benzamide; fumaric acid Formula: C26H28FN3O5 MolecularWeight: 481.516023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H24FN3O.C4H4O4/c1-2-26-11-9-15(10-12-26)20-14-24-21-8-7-18(13-19(20)21)25-22(27)16-3-5-17(23)6-4-16;5-3(6)1-2-4(7)8/h3-8,13-15,24H,2,9-12H2,1H3,(H,25,27);1-2H,(H,5,6)(H,7,8)/b;2-1+