[(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [(1S)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [(1S)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H16FNO4 MolecularWeight: 317.311643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)F)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)F)O

InChI

InChI=1S/C17H16FNO4/c1-10-3-8-14(15(20)9-10)17(22)23-11(2)16(21)19-13-6-4-12(18)5-7-13/h3-9,11,20H,1-2H3,(H,19,21)/t11-/m0/s1