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

Systemtic Name: [2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methylbutanoate Openeye Name: [2-[2-morpholino-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-keto-2-[2-morpholino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C18H23F3N2O4 MolecularWeight: 388.38143

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2

Isomeric SMILES

CCC(C)C(=O)OCC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2

InChI

InChI=1S/C18H23F3N2O4/c1-3-12(2)17(25)27-11-16(24)22-14-10-13(18(19,20)21)4-5-15(14)23-6-8-26-9-7-23/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,22,24)