3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanoic acid

Systemtic Name: 3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanoic acid Openeye Name: 3-[5-(p-tolyl)isoxazol-4-yl]propanoic acid CAS Name: 3-[5-(4-methylphenyl)-4-isoxazolyl]propanoic acid IUPAC Name: 3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanoic acid Traditional Name: 3-[5-(p-tolyl)isoxazol-4-yl]propionic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3/c1-9-2-4-10(5-3-9)13-11(8-14-17-13)6-7-12(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)