2-[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]ethanoic acid

Systemtic Name: 2-[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]ethanoic acid Openeye Name: 2-[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]acetic acid CAS Name: 2-[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]acetic acid IUPAC Name: 2-[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]acetic acid Traditional Name: 2-[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]acetic acid Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NC(=NN2)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NC(=NN2)CC(=O)O

InChI

InChI=1S/C13H15N3O3/c1-8-3-4-9(2)10(5-8)19-7-12-14-11(15-16-12)6-13(17)18/h3-5H,6-7H2,1-2H3,(H,17,18)(H,14,15,16)