O2-[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] O4-isopropyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester O4-isopropyl ester Formula: C21H23FN2O6 MolecularWeight: 418.415523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)C2=C(C=C(C=C2)NC(=O)C)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)C2=C(C=C(C=C2)NC(=O)C)F

InChI

InChI=1S/C21H23FN2O6/c1-10(2)30-20(27)18-11(3)19(23-12(18)4)21(28)29-9-17(26)15-7-6-14(8-16(15)22)24-13(5)25/h6-8,10,23H,9H2,1-5H3,(H,24,25)