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

Systemtic Name: 3-[4-(3-chlorophenyl)phenyl]-4-cyano-5-ethyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 3-[4-(3-chlorophenyl)phenyl]-4-cyano-5-ethyl-1-methyl-pyrrole-2-carboxylic acid CAS Name: 3-[4-(3-chlorophenyl)phenyl]-4-cyano-5-ethyl-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 3-[4-(3-chlorophenyl)phenyl]-4-cyano-5-ethyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 3-[4-(3-chlorophenyl)phenyl]-4-cyano-5-ethyl-1-methyl-pyrrole-2-carboxylic acid Formula: C21H17ClN2O2 MolecularWeight: 364.82488

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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)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O2/c1-3-18-17(12-23)19(20(21(25)26)24(18)2)14-9-7-13(8-10-14)15-5-4-6-16(22)11-15/h4-11H,3H2,1-2H3,(H,25,26)