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

Systemtic Name: (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=NC(=NO2)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=NC(=NO2)C(C)(C)C

InChI

InChI=1S/C20H27N3O4/c1-12(2)16(22-17(24)14-9-7-8-13(3)10-14)18(25)26-11-15-21-19(23-27-15)20(4,5)6/h7-10,12,16H,11H2,1-6H3,(H,22,24)