4-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]butanoic acid

Systemtic Name: 4-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]butanoic acid Openeye Name: 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]butanoic acid CAS Name: 4-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]butanoic acid IUPAC Name: 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]butanoic acid Traditional Name: 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]butyric acid Formula: C13H16N4O4 MolecularWeight: 292.29054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(N=N2)CCCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(N=N2)CCCC(=O)O)OC

InChI

InChI=1S/C13H16N4O4/c1-20-10-6-5-9(8-11(10)21-2)13-14-16-17(15-13)7-3-4-12(18)19/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)