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

Systemtic Name: ethyl 4-(4-fluorophenyl)-5-[2-(3-imidazol-1-ylpropylamino)-2-oxidanylidene-ethanoyl]-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-5-[2-(3-imidazol-1-ylpropylamino)-2-oxo-acetyl]-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 4-(4-fluorophenyl)-5-[2-[3-(1-imidazolyl)propylamino]-1,2-dioxoethyl]-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-5-[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-5-[2-(3-imidazol-1-ylpropylamino)-2-keto-acetyl]-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H23FN4O4 MolecularWeight: 426.440823

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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)NCCCN3C=CN=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)F)C(=O)C(=O)NCCCN3C=CN=C3)C

InChI

InChI=1S/C22H23FN4O4/c1-3-31-22(30)17-14(2)26-19(18(17)15-5-7-16(23)8-6-15)20(28)21(29)25-9-4-11-27-12-10-24-13-27/h5-8,10,12-13,26H,3-4,9,11H2,1-2H3,(H,25,29)