[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-(trifluoromethyl)benzoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-(trifluoromethyl)benzoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C21H20F3NO4 MolecularWeight: 407.38301

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C21H20F3NO4/c1-14(26)25-12-4-5-15-8-10-16(11-9-15)19(27)13-29-20(28)17-6-2-3-7-18(17)21(22,23)24/h2-3,6-11H,4-5,12-13H2,1H3,(H,25,26)