4-[(E)-1-cyano-2-(2-fluoranyl-4-piperidin-1-yl-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-1-cyano-2-(2-fluoranyl-4-piperidin-1-yl-phenyl)ethenyl]benzoic acid Openeye Name: 4-[(E)-1-cyano-2-[2-fluoro-4-(1-piperidyl)phenyl]vinyl]benzoic acid CAS Name: 4-[(E)-1-cyano-2-[2-fluoro-4-(1-piperidinyl)phenyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-1-cyano-2-(2-fluoro-4-piperidin-1-ylphenyl)ethenyl]benzoic acid Traditional Name: 4-[(E)-1-cyano-2-(2-fluoro-4-piperidino-phenyl)vinyl]benzoic acid Formula: C21H19FN2O2 MolecularWeight: 350.386163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)F

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)/C=C(/C#N)\C3=CC=C(C=C3)C(=O)O)F

InChI

InChI=1S/C21H19FN2O2/c22-20-13-19(24-10-2-1-3-11-24)9-8-17(20)12-18(14-23)15-4-6-16(7-5-15)21(25)26/h4-9,12-13H,1-3,10-11H2,(H,25,26)/b18-12-