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

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-(3-methylbutylamino)-2-oxidanylidene-ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-5-[2-(isopentylamino)-2-oxo-acetyl]-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-methyl-5-[2-(3-methylbutylamino)-1,2-dioxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-(3-methylbutylamino)-2-oxoacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-5-[2-(isoamylamino)-2-keto-acetyl]-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25FN2O4 MolecularWeight: 388.432603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)F)C(=O)C(=O)NCCC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)F)C(=O)C(=O)NCCC(C)C)C

InChI

InChI=1S/C21H25FN2O4/c1-5-28-21(27)16-13(4)24-18(17(16)14-6-8-15(22)9-7-14)19(25)20(26)23-11-10-12(2)3/h6-9,12,24H,5,10-11H2,1-4H3,(H,23,26)