ethyl 4-(2-fluoranyl-3-methyl-butanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(2-fluoranyl-3-methyl-butanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(2-fluoro-3-methyl-butanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(2-fluoro-3-methyl-1-oxobutyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-fluoro-3-methylbutanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-fluoro-3-methyl-butanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C14H20FNO3 MolecularWeight: 269.311903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C(C(C)C)F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C(C(C)C)F)C

InChI

InChI=1S/C14H20FNO3/c1-6-19-14(18)12-8(4)10(9(5)16-12)13(17)11(15)7(2)3/h7,11,16H,6H2,1-5H3