[2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[2-morpholino-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-keto-2-[2-morpholino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C20H18BrF3N2O4 MolecularWeight: 487.26713

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H18BrF3N2O4/c21-15-3-1-2-13(10-15)19(28)30-12-18(27)25-16-11-14(20(22,23)24)4-5-17(16)26-6-8-29-9-7-26/h1-5,10-11H,6-9,12H2,(H,25,27)