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

Systemtic Name: 4-cyano-3-[4-(2-ethoxyphenyl)phenyl]-5-ethyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-cyano-3-[4-(2-ethoxyphenyl)phenyl]-5-ethyl-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-cyano-3-[4-(2-ethoxyphenyl)phenyl]-5-ethyl-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-cyano-3-[4-(2-ethoxyphenyl)phenyl]-5-ethyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-cyano-5-ethyl-1-methyl-3-(4-o-phenetylphenyl)pyrrole-2-carboxylic acid Formula: C23H22N2O3 MolecularWeight: 374.43238

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=C3OCC)C#N

Isomeric SMILES

CCC1=C(C(=C(N1C)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3OCC)C#N

InChI

InChI=1S/C23H22N2O3/c1-4-19-18(14-24)21(22(23(26)27)25(19)3)16-12-10-15(11-13-16)17-8-6-7-9-20(17)28-5-2/h6-13H,4-5H2,1-3H3,(H,26,27)