[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-ethylbenzoate

Systemtic Name: [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-ethylbenzoate Openeye Name: [(1S)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [(1S)-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:

CCC1=CC=C(C=C1)C(=O)OC(C)C(=O)NCCC2=CC=C(C=C2)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)O[C@@H](C)C(=O)NCCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H22FNO3/c1-3-15-4-8-17(9-5-15)20(24)25-14(2)19(23)22-13-12-16-6-10-18(21)11-7-16/h4-11,14H,3,12-13H2,1-2H3,(H,22,23)/t14-/m0/s1