3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-1,2,4-triazol-3-yl]benzoic acid

Systemtic Name: 3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-chloro-phenyl)-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-chloro-phenyl)-1,2,4-triazol-3-yl]benzoic acid Formula: C22H16ClN3O3 MolecularWeight: 405.83374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)N3C(=NC=N3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)N3C(=NC=N3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C22H16ClN3O3/c23-18-9-10-20(29-13-15-5-2-1-3-6-15)19(12-18)26-21(24-14-25-26)16-7-4-8-17(11-16)22(27)28/h1-12,14H,13H2,(H,27,28)