[1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid [2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H24FNO4 MolecularWeight: 385.428663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FNO4/c1-13(2)19(24-21(26)17-7-5-6-14(3)12-17)22(27)28-15(4)20(25)16-8-10-18(23)11-9-16/h5-13,15,19H,1-4H3,(H,24,26)/t15?,19-/m0/s1