[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-chloranyl-4-fluoranyl-benzoate

Systemtic Name: [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-chloranyl-4-fluoranyl-benzoate Openeye Name: [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-benzoic acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H19ClFNO3 MolecularWeight: 399.842563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C22H19ClFNO3/c1-14-10-19(15(2)25(14)12-16-6-4-3-5-7-16)21(26)13-28-22(27)18-9-8-17(24)11-20(18)23/h3-11H,12-13H2,1-2H3