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

Systemtic Name: ethyl 5-[2-(butylamino)-2-oxidanylidene-ethanoyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(butylamino)-2-oxo-acetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(butylamino)-1,2-dioxoethyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(butylamino)-2-oxoacetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(butylamino)-2-keto-acetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23FN2O4 MolecularWeight: 374.406023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H23FN2O4/c1-4-6-11-22-19(25)18(24)17-16(13-7-9-14(21)10-8-13)15(12(3)23-17)20(26)27-5-2/h7-10,23H,4-6,11H2,1-3H3,(H,22,25)