ethyl 4-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-(pyridin-3-ylcarbonylamino)propan-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-(pyridin-3-ylcarbonylamino)propan-2-yl]amino]benzoate Openeye Name: ethyl 4-[[2,2,2-trifluoro-1-(pyridine-3-carbonylamino)-1-(trifluoromethyl)ethyl]amino]benzoate CAS Name: 4-[[1,1,1,3,3,3-hexafluoro-2-[[oxo(3-pyridinyl)methyl]amino]propan-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1,1,1,3,3,3-hexafluoro-2-(pyridine-3-carbonylamino)propan-2-yl]amino]benzoate Traditional Name: 4-[[2,2,2-trifluoro-1-nicotinamido-1-(trifluoromethyl)ethyl]amino]benzoic acid ethyl ester Formula: C18H15F6N3O3 MolecularWeight: 435.320419

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H15F6N3O3/c1-2-30-15(29)11-5-7-13(8-6-11)26-16(17(19,20)21,18(22,23)24)27-14(28)12-4-3-9-25-10-12/h3-10,26H,2H2,1H3,(H,27,28)