[(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-diacetamidobenzoate

Systemtic Name: [(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-diacetamidobenzoate Openeye Name: [(1S)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [(1S)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20FN3O5 MolecularWeight: 401.388303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC(=CC(=C2)NC(=O)C)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC(=CC(=C2)NC(=O)C)NC(=O)C

InChI

InChI=1S/C20H20FN3O5/c1-11(19(27)24-16-6-4-15(21)5-7-16)29-20(28)14-8-17(22-12(2)25)10-18(9-14)23-13(3)26/h4-11H,1-3H3,(H,22,25)(H,23,26)(H,24,27)/t11-/m0/s1