(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-14(2)19(23-20(26)17-12-8-7-9-15(17)3)22(27)28-13-18-24-25-21(29-18)16-10-5-4-6-11-16/h4-12,14,19H,13H2,1-3H3,(H,23,26)/t19-/m0/s1