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

Systemtic Name: ethyl 5-[2-(3-ethoxypropylamino)-2-oxidanylidene-ethanoyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(3-ethoxypropylamino)-2-oxo-acetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(3-ethoxypropylamino)-1,2-dioxoethyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-ethoxypropylamino)-2-oxoacetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(3-ethoxypropylamino)-2-keto-acetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25FN2O5 MolecularWeight: 404.432003

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)F

Isomeric SMILES

CCOCCCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H25FN2O5/c1-4-28-12-6-11-23-20(26)19(25)18-17(14-7-9-15(22)10-8-14)16(13(3)24-18)21(27)29-5-2/h7-10,24H,4-6,11-12H2,1-3H3,(H,23,26)