[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-chloranyl-2-fluoranyl-benzoate Openeye Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-ethyl] 5-chloro-2-fluoro-benzoate CAS Name: 5-chloro-2-fluorobenzoic acid [2-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 5-chloro-2-fluorobenzoate Traditional Name: 5-chloro-2-fluoro-benzoic acid [2-keto-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C20H19ClFNO4 MolecularWeight: 391.820563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Cl)F

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Cl)F

InChI

InChI=1S/C20H19ClFNO4/c1-20(2,3)19(26)23-14-7-4-12(5-8-14)17(24)11-27-18(25)15-10-13(21)6-9-16(15)22/h4-10H,11H2,1-3H3,(H,23,26)