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

Systemtic Name: 4-cyano-5-ethyl-1-methyl-3-[4-(3-methylphenyl)phenyl]pyrrole-2-carboxylic acid Openeye Name: 4-cyano-5-ethyl-1-methyl-3-[4-(m-tolyl)phenyl]pyrrole-2-carboxylic acid CAS Name: 4-cyano-5-ethyl-1-methyl-3-[4-(3-methylphenyl)phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 4-cyano-5-ethyl-1-methyl-3-[4-(3-methylphenyl)phenyl]pyrrole-2-carboxylic acid Traditional Name: 4-cyano-5-ethyl-1-methyl-3-[4-(m-tolyl)phenyl]pyrrole-2-carboxylic acid Formula: C22H20N2O2 MolecularWeight: 344.4064

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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=C3)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O2/c1-4-19-18(13-23)20(21(22(25)26)24(19)3)16-10-8-15(9-11-16)17-7-5-6-14(2)12-17/h5-12H,4H2,1-3H3,(H,25,26)