2-[4-(5-methyl-4-phenyl-1,2,3-triazol-1-yl)phenyl]propanoic acid

Systemtic Name: 2-[4-(5-methyl-4-phenyl-1,2,3-triazol-1-yl)phenyl]propanoic acid Openeye Name: 2-[4-(5-methyl-4-phenyl-triazol-1-yl)phenyl]propanoic acid CAS Name: 2-[4-(5-methyl-4-phenyl-1-triazolyl)phenyl]propanoic acid IUPAC Name: 2-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]propanoic acid Traditional Name: 2-[4-(5-methyl-4-phenyl-triazol-1-yl)phenyl]propionic acid Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=C(C=C2)C(C)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N=NN1C2=CC=C(C=C2)C(C)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2/c1-12(18(22)23)14-8-10-16(11-9-14)21-13(2)17(19-20-21)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,23)