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

Systemtic Name: ethyl 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethanoyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-acetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(1,3-benzodioxol-5-ylmethylamino)-1,2-dioxoethyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-5-[2-keto-2-(piperonylamino)acetyl]-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H21FN2O6 MolecularWeight: 452.431743

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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)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)F)C(=O)C(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C24H21FN2O6/c1-3-31-24(30)19-13(2)27-21(20(19)15-5-7-16(25)8-6-15)22(28)23(29)26-11-14-4-9-17-18(10-14)33-12-32-17/h4-10,27H,3,11-12H2,1-2H3,(H,26,29)