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

Systemtic Name: ethyl 5-[2-(2-acetamidoethylamino)-2-oxidanylidene-ethanoyl]-4-(2-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(2-acetamidoethylamino)-2-oxo-acetyl]-4-(2-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(2-acetamidoethylamino)-1,2-dioxoethyl]-4-(2-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-acetamidoethylamino)-2-oxoacetyl]-4-(2-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(2-acetamidoethylamino)-2-keto-acetyl]-4-(2-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H22FN3O5 MolecularWeight: 403.404183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2F)C(=O)C(=O)NCCNC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2F)C(=O)C(=O)NCCNC(=O)C)C

InChI

InChI=1S/C20H22FN3O5/c1-4-29-20(28)15-11(2)24-17(16(15)13-7-5-6-8-14(13)21)18(26)19(27)23-10-9-22-12(3)25/h5-8,24H,4,9-10H2,1-3H3,(H,22,25)(H,23,27)