[1-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-methylbenzoate

Systemtic Name: [1-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-methylbenzoate Openeye Name: [1-methyl-2-[2-morpholino-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [1-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-keto-1-methyl-2-[2-morpholino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C22H23F3N2O4 MolecularWeight: 436.42423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3

InChI

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