2-[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]ethanoic acid

Systemtic Name: 2-[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]ethanoic acid Openeye Name: 2-[5-(4-tert-butylphenyl)isoxazol-3-yl]acetic acid CAS Name: 2-[5-(4-tert-butylphenyl)-3-isoxazolyl]acetic acid IUPAC Name: 2-[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]acetic acid Traditional Name: 2-[5-(4-tert-butylphenyl)isoxazol-3-yl]acetic acid Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO3/c1-15(2,3)11-6-4-10(5-7-11)13-8-12(16-19-13)9-14(17)18/h4-8H,9H2,1-3H3,(H,17,18)