[1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C22H20FN3O4 MolecularWeight: 409.410303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OC(C)C(=O)NC(C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OC(C)C(=O)NC(C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FN3O4/c1-13(16-6-8-17(23)9-7-16)25-20(27)15(3)30-22(28)19-14(2)29-21(18(19)12-24)26-10-4-5-11-26/h4-11,13,15H,1-3H3,(H,25,27)