[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3,5-dimethylbenzoate

Systemtic Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3,5-dimethylbenzoate Openeye Name: [(1R)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-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] 3,5-dimethylbenzoate Traditional Name: 3,5-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(=CC(=C1)C(=O)OC(C)C(=O)NCCC2=CC=C(C=C2)F)C

Isomeric SMILES

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

InChI

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