[2-oxidanylidene-2-[[2-propoxy-5-(trifluoromethyl)phenyl]amino]ethyl] 3,4-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[2-propoxy-5-(trifluoromethyl)phenyl]amino]ethyl] 3,4-dimethylbenzoate Openeye Name: [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-keto-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] ester Formula: C21H22F3NO4 MolecularWeight: 409.39889

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)COC(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)COC(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H22F3NO4/c1-4-9-28-18-8-7-16(21(22,23)24)11-17(18)25-19(26)12-29-20(27)15-6-5-13(2)14(3)10-15/h5-8,10-11H,4,9,12H2,1-3H3,(H,25,26)