[(2R)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-butoxybenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-butoxybenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [(1R)-2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C21H22F3NO4 MolecularWeight: 409.39889

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C21H22F3NO4/c1-3-4-13-28-18-11-5-15(6-12-18)20(27)29-14(2)19(26)25-17-9-7-16(8-10-17)21(22,23)24/h5-12,14H,3-4,13H2,1-2H3,(H,25,26)/t14-/m1/s1