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

Systemtic Name: 4-cyano-3-[4-(2-cyanophenyl)phenyl]-5-ethyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-cyano-3-[4-(2-cyanophenyl)phenyl]-5-ethyl-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-cyano-3-[4-(2-cyanophenyl)phenyl]-5-ethyl-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-cyano-3-[4-(2-cyanophenyl)phenyl]-5-ethyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-cyano-3-[4-(2-cyanophenyl)phenyl]-5-ethyl-1-methyl-pyrrole-2-carboxylic acid Formula: C22H17N3O2 MolecularWeight: 355.38928

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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=CC=C3C#N)C#N

Isomeric SMILES

CCC1=C(C(=C(N1C)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3C#N)C#N

InChI

InChI=1S/C22H17N3O2/c1-3-19-18(13-24)20(21(22(26)27)25(19)2)15-10-8-14(9-11-15)17-7-5-4-6-16(17)12-23/h4-11H,3H2,1-2H3,(H,26,27)