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

Systemtic Name: 4-cyano-5-ethyl-3-[4-(2-methoxyphenyl)phenyl]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-cyano-5-ethyl-3-[4-(2-methoxyphenyl)phenyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-cyano-5-ethyl-3-[4-(2-methoxyphenyl)phenyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-cyano-5-ethyl-3-[4-(2-methoxyphenyl)phenyl]-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-cyano-5-ethyl-3-[4-(2-methoxyphenyl)phenyl]-1-methyl-pyrrole-2-carboxylic acid Formula: C22H20N2O3 MolecularWeight: 360.4058

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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=C3OC)C#N

Isomeric SMILES

CCC1=C(C(=C(N1C)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3OC)C#N

InChI

InChI=1S/C22H20N2O3/c1-4-18-17(13-23)20(21(22(25)26)24(18)2)15-11-9-14(10-12-15)16-7-5-6-8-19(16)27-3/h5-12H,4H2,1-3H3,(H,25,26)