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

Systemtic Name: [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-propan-2-ylbenzoate Openeye Name: [(1S)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic 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-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C21H24FNO3 MolecularWeight: 357.418563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H24FNO3/c1-14(2)17-6-8-18(9-7-17)21(25)26-15(3)20(24)23-13-12-16-4-10-19(22)11-5-16/h4-11,14-15H,12-13H2,1-3H3,(H,23,24)/t15-/m0/s1