ethyl 4-(4-cyanophenyl)-2-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-cyanophenyl)-2-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-2-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrole-3-carboxylate CAS Name: 4-(4-cyanophenyl)-2-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(4-cyanophenyl)-2-(4-fluorobenzyl)-5-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H19FN2O2 MolecularWeight: 362.396863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)C#N)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)C#N)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H19FN2O2/c1-3-27-22(26)21-19(12-15-6-10-18(23)11-7-15)25-14(2)20(21)17-8-4-16(13-24)5-9-17/h4-11,25H,3,12H2,1-2H3