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

Systemtic Name: 4-[(E)-1-cyano-2-(2-fluoranyl-4-pyrrolidin-1-yl-phenyl)ethenyl]benzoic acid Openeye Name: 4-[(E)-1-cyano-2-(2-fluoro-4-pyrrolidin-1-yl-phenyl)vinyl]benzoic acid CAS Name: 4-[(E)-1-cyano-2-[2-fluoro-4-(1-pyrrolidinyl)phenyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-1-cyano-2-(2-fluoro-4-pyrrolidin-1-ylphenyl)ethenyl]benzoic acid Traditional Name: 4-[(E)-1-cyano-2-(2-fluoro-4-pyrrolidino-phenyl)vinyl]benzoic acid Formula: C20H17FN2O2 MolecularWeight: 336.359583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)F

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)/C=C(/C#N)\C3=CC=C(C=C3)C(=O)O)F

InChI

InChI=1S/C20H17FN2O2/c21-19-12-18(23-9-1-2-10-23)8-7-16(19)11-17(13-22)14-3-5-15(6-4-14)20(24)25/h3-8,11-12H,1-2,9-10H2,(H,24,25)/b17-11-