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

Systemtic Name: 2-[5-(4-butoxyphenyl)-1,2,3,4-tetrazol-2-yl]propanoic acid Openeye Name: 2-[5-(4-butoxyphenyl)tetrazol-2-yl]propanoic acid CAS Name: 2-[5-(4-butoxyphenyl)-2-tetrazolyl]propanoic acid IUPAC Name: 2-[5-(4-butoxyphenyl)tetrazol-2-yl]propanoic acid Traditional Name: 2-[5-(4-butoxyphenyl)tetrazol-2-yl]propionic acid Formula: C14H18N4O3 MolecularWeight: 290.31772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(N=N2)C(C)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(N=N2)C(C)C(=O)O

InChI

InChI=1S/C14H18N4O3/c1-3-4-9-21-12-7-5-11(6-8-12)13-15-17-18(16-13)10(2)14(19)20/h5-8,10H,3-4,9H2,1-2H3,(H,19,20)