[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C21H24FNO3 MolecularWeight: 357.418563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=CC(=C(C=C1)C)F)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO3/c1-4-16(17-8-6-5-7-9-17)13-23-20(24)15(3)26-21(25)18-11-10-14(2)19(22)12-18/h5-12,15-16H,4,13H2,1-3H3,(H,23,24)/t15-,16+/m0/s1