2-[[5-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-2-yl]methyl]benzoic acid

Systemtic Name: 2-[[5-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-2-yl]methyl]benzoic acid Openeye Name: 2-[[5-(4-benzyloxyphenyl)tetrazol-2-yl]methyl]benzoic acid CAS Name: 2-[[5-(4-phenylmethoxyphenyl)-2-tetrazolyl]methyl]benzoic acid IUPAC Name: 2-[[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]methyl]benzoic acid Traditional Name: 2-[[5-(4-benzoxyphenyl)tetrazol-2-yl]methyl]benzoic acid Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(N=N3)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(N=N3)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H18N4O3/c27-22(28)20-9-5-4-8-18(20)14-26-24-21(23-25-26)17-10-12-19(13-11-17)29-15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,27,28)