3-[3-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]benzoic acid

Systemtic Name: 3-[3-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]benzoic acid Openeye Name: 3-[3-(4-benzyloxyphenyl)-1,2,4-triazol-1-yl]benzoic acid CAS Name: 3-[3-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]benzoic acid IUPAC Name: 3-[3-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]benzoic acid Traditional Name: 3-[3-(4-benzoxyphenyl)-1,2,4-triazol-1-yl]benzoic acid Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C=N3)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C=N3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H17N3O3/c26-22(27)18-7-4-8-19(13-18)25-15-23-21(24-25)17-9-11-20(12-10-17)28-14-16-5-2-1-3-6-16/h1-13,15H,14H2,(H,26,27)