[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-fluorophenyl)amino]benzoate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-fluorophenyl)amino]benzoate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(4-fluoroanilino)benzoate CAS Name: 2-(4-fluoroanilino)benzoic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluoroanilino)benzoate Traditional Name: 2-(4-fluoroanilino)benzoic acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC=CC=C1NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC=CC=C1NC2=CC=C(C=C2)F

InChI

InChI=1S/C21H24FN3O4/c1-13(18(26)24-20(28)25-21(2,3)4)29-19(27)16-7-5-6-8-17(16)23-15-11-9-14(22)10-12-15/h5-13,23H,1-4H3,(H2,24,25,26,28)