3-methyl-5-phenethyl-1,2-oxazole-4-carboxylic acid

Systemtic Name: 3-methyl-5-phenethyl-1,2-oxazole-4-carboxylic acid Openeye Name: 3-methyl-5-phenethyl-isoxazole-4-carboxylic acid CAS Name: 3-methyl-5-phenethyl-4-isoxazolecarboxylic acid IUPAC Name: 3-methyl-5-phenethyl-1,2-oxazole-4-carboxylic acid Traditional Name: 3-methyl-5-phenethyl-isoxazole-4-carboxylic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=NOC(=C1C(=O)O)CCC2=CC=CC=C2

InChI

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