[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)benzoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C22H22F3NO4 MolecularWeight: 421.40959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3NO4/c1-2-3-4-5-20(28)26-18-12-8-15(9-13-18)19(27)14-30-21(29)16-6-10-17(11-7-16)22(23,24)25/h6-13H,2-5,14H2,1H3,(H,26,28)