[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [(1S)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C19H20FNO4 MolecularWeight: 345.364803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OC(C)C(=O)NCCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)O[C@@H](C)C(=O)NCCC2=CC=C(C=C2)F

InChI

InChI=1S/C19H20FNO4/c1-12-4-3-5-16(17(12)22)19(24)25-13(2)18(23)21-11-10-14-6-8-15(20)9-7-14/h3-9,13,22H,10-11H2,1-2H3,(H,21,23)/t13-/m0/s1