3-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]propanoic acid Openeye Name: 3-[5-(4-isopropylphenyl)tetrazol-2-yl]propanoic acid CAS Name: 3-[5-(4-propan-2-ylphenyl)-2-tetrazolyl]propanoic acid IUPAC Name: 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoic acid Traditional Name: 3-(5-p-cumenyltetrazol-2-yl)propionic acid Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CCC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CCC(=O)O

InChI

InChI=1S/C13H16N4O2/c1-9(2)10-3-5-11(6-4-10)13-14-16-17(15-13)8-7-12(18)19/h3-6,9H,7-8H2,1-2H3,(H,18,19)