ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-oxo-2-(2-pyridylmethylamino)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 5-[1,2-dioxo-2-(2-pyridinylmethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-5-[2-keto-2-(2-pyridylmethylamino)acetyl]-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H20FN3O4 MolecularWeight: 409.410303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)F)C(=O)C(=O)NCC3=CC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)F)C(=O)C(=O)NCC3=CC=CC=N3)C

InChI

InChI=1S/C22H20FN3O4/c1-3-30-22(29)17-13(2)26-19(18(17)14-7-9-15(23)10-8-14)20(27)21(28)25-12-16-6-4-5-11-24-16/h4-11,26H,3,12H2,1-2H3,(H,25,28)