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

Systemtic Name: [2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[2-morpholino-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-keto-2-[2-morpholino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C22H23F3N2O4 MolecularWeight: 436.42423

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3

InChI

InChI=1S/C22H23F3N2O4/c1-2-15-3-5-16(6-4-15)21(29)31-14-20(28)26-18-13-17(22(23,24)25)7-8-19(18)27-9-11-30-12-10-27/h3-8,13H,2,9-12,14H2,1H3,(H,26,28)