[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-cyanocyclopentane-1-carboxylate

Systemtic Name: [2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-cyanocyclopentane-1-carboxylate Openeye Name: [2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 1-cyanocyclopentanecarboxylate CAS Name: 1-cyano-1-cyclopentanecarboxylic acid [2-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-cyanocyclopentane-1-carboxylate Traditional Name: 1-cyanocyclopentanecarboxylic acid [2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H21FN2O3 MolecularWeight: 368.401443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)COC(=O)C3(CCCC3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)COC(=O)C3(CCCC3)C#N

InChI

InChI=1S/C21H21FN2O3/c1-14-11-18(15(2)24(14)17-7-5-16(22)6-8-17)19(25)12-27-20(26)21(13-23)9-3-4-10-21/h5-8,11H,3-4,9-10,12H2,1-2H3