2-[3-[2-cyano-2-(4-fluorophenyl)ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 2-[3-[2-cyano-2-(4-fluorophenyl)ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 2-[3-[2-cyano-2-(4-fluorophenyl)vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 2-[3-[2-cyano-2-(4-fluorophenyl)ethenyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 2-[3-[2-cyano-2-(4-fluorophenyl)ethenyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 2-[3-[2-cyano-2-(4-fluorophenyl)vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C22H17FN2O2 MolecularWeight: 360.380983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2C(=O)O)C)C=C(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2C(=O)O)C)C=C(C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H17FN2O2/c1-14-11-17(12-18(13-24)16-7-9-19(23)10-8-16)15(2)25(14)21-6-4-3-5-20(21)22(26)27/h3-12H,1-2H3,(H,26,27)