[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate Traditional Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O4/c1-4-11-26-14(2)12-18(15(26)3)19(27)13-29-21(28)10-9-20-24-22(25-30-20)16-5-7-17(23)8-6-16/h4-8,12H,1,9-11,13H2,2-3H3