[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3,4-dimethylbenzoate

Systemtic Name: [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3,4-dimethylbenzoate Openeye Name: [(1S)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C20H22FNO3 MolecularWeight: 343.391983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FNO3/c1-13-4-7-17(12-14(13)2)20(24)25-15(3)19(23)22-11-10-16-5-8-18(21)9-6-16/h4-9,12,15H,10-11H2,1-3H3,(H,22,23)/t15-/m0/s1