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

Systemtic Name: [2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-oxidanylcyclohexane-1-carboxylate Openeye Name: [2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 1-hydroxycyclohexanecarboxylate CAS Name: 1-hydroxy-1-cyclohexanecarboxylic acid [2-[1-(3-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate Traditional Name: 1-hydroxycyclohexanecarboxylic acid [2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H24FNO4 MolecularWeight: 373.417963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)COC(=O)C3(CCCCC3)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)COC(=O)C3(CCCCC3)O

InChI

InChI=1S/C21H24FNO4/c1-14-11-18(15(2)23(14)17-8-6-7-16(22)12-17)19(24)13-27-20(25)21(26)9-4-3-5-10-21/h6-8,11-12,26H,3-5,9-10,13H2,1-2H3