3-(4-ethylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid

Systemtic Name: 3-(4-ethylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 3-(4-ethylphenyl)-5-methyl-4H-isoxazole-5-carboxylic acid CAS Name: 3-(4-ethylphenyl)-5-methyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 3-(4-ethylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 3-(4-ethylphenyl)-5-methyl-2-isoxazoline-5-carboxylic acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(C2)(C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(C2)(C)C(=O)O

InChI

InChI=1S/C13H15NO3/c1-3-9-4-6-10(7-5-9)11-8-13(2,12(15)16)17-14-11/h4-7H,3,8H2,1-2H3,(H,15,16)