(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 2-[[3-(trifluoromethyl)phenyl]amino]benzoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 2-[[3-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 2-[3-(trifluoromethyl)anilino]benzoate CAS Name: 2-[3-(trifluoromethyl)anilino]benzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 2-[3-(trifluoromethyl)anilino]benzoate Traditional Name: 2-[3-(trifluoromethyl)anilino]benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C21H21F3N2O4 MolecularWeight: 422.39765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O4/c1-14(19(27)26-9-11-29-12-10-26)30-20(28)17-7-2-3-8-18(17)25-16-6-4-5-15(13-16)21(22,23)24/h2-8,13-14,25H,9-12H2,1H3