2-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[5-(2,5-dimethylphenyl)isoxazole-3-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[5-(2,5-dimethylphenyl)-3-isoxazolyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[5-(2,5-dimethylphenyl)-1,2-oxazole-3-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[5-(2,5-dimethylphenyl)isoxazole-3-carbonyl]amino]-3-methyl-butyric acid Formula: C17H20N2O4 MolecularWeight: 316.3517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CC(=NO2)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CC(=NO2)C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C17H20N2O4/c1-9(2)15(17(21)22)18-16(20)13-8-14(23-19-13)12-7-10(3)5-6-11(12)4/h5-9,15H,1-4H3,(H,18,20)(H,21,22)