[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2,5-dimethylbenzoate

Systemtic Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2,5-dimethylbenzoate Openeye Name: [(1R)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [(1R)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C20H22FNO3 MolecularWeight: 343.391983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OC(C)C(=O)NCCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)O[C@H](C)C(=O)NCCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H22FNO3/c1-13-4-5-14(2)18(12-13)20(24)25-15(3)19(23)22-11-10-16-6-8-17(21)9-7-16/h4-9,12,15H,10-11H2,1-3H3,(H,22,23)/t15-/m1/s1