3-[1-[(4-methylphenyl)methyl]-1,2,3-triazol-4-yl]propanoic acid

Systemtic Name: 3-[1-[(4-methylphenyl)methyl]-1,2,3-triazol-4-yl]propanoic acid Openeye Name: 3-[1-(p-tolylmethyl)triazol-4-yl]propanoic acid CAS Name: 3-[1-[(4-methylphenyl)methyl]-4-triazolyl]propanoic acid IUPAC Name: 3-[1-[(4-methylphenyl)methyl]triazol-4-yl]propanoic acid Traditional Name: 3-[1-(4-methylbenzyl)triazol-4-yl]propionic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(N=N2)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(N=N2)CCC(=O)O

InChI

InChI=1S/C13H15N3O2/c1-10-2-4-11(5-3-10)8-16-9-12(14-15-16)6-7-13(17)18/h2-5,9H,6-8H2,1H3,(H,17,18)