4-[1-cyano-2-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-(3-fluoro-4-pyrrolidin-1-yl-phenyl)vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[3-fluoro-4-(1-pyrrolidinyl)phenyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-(3-fluoro-4-pyrrolidino-phenyl)vinyl]benzoic acid Formula: C20H17FN2O2 MolecularWeight: 336.359583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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