4-cyano-5-ethyl-3-[4-(2-fluorophenyl)phenyl]-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-cyano-5-ethyl-3-[4-(2-fluorophenyl)phenyl]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-cyano-5-ethyl-3-[4-(2-fluorophenyl)phenyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-cyano-5-ethyl-3-[4-(2-fluorophenyl)phenyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-cyano-5-ethyl-3-[4-(2-fluorophenyl)phenyl]-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-cyano-5-ethyl-3-[4-(2-fluorophenyl)phenyl]-1-methyl-pyrrole-2-carboxylic acid Formula: C21H17FN2O2 MolecularWeight: 348.370283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1C)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3F)C#N

Isomeric SMILES

CCC1=C(C(=C(N1C)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3F)C#N

InChI

InChI=1S/C21H17FN2O2/c1-3-18-16(12-23)19(20(21(25)26)24(18)2)14-10-8-13(9-11-14)15-6-4-5-7-17(15)22/h4-11H,3H2,1-2H3,(H,25,26)