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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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