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

Systemtic Name: ethyl 5-[2-(2-diethylaminoethylamino)-2-oxidanylidene-ethanoyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(2-diethylaminoethylamino)-2-oxo-acetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(2-diethylaminoethylamino)-1,2-dioxoethyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-diethylaminoethylamino)-2-oxoacetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(2-diethylaminoethylamino)-2-keto-acetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28FN3O4 MolecularWeight: 417.473823

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)F

Isomeric SMILES

CCN(CC)CCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)F

InChI

InChI=1S/C22H28FN3O4/c1-5-26(6-2)13-12-24-21(28)20(27)19-18(15-8-10-16(23)11-9-15)17(14(4)25-19)22(29)30-7-3/h8-11,25H,5-7,12-13H2,1-4H3,(H,24,28)