2-(5-dodecyl-1,2,3,4-tetrazol-2-yl)-2-phenyl-butanoic acid

Systemtic Name: 2-(5-dodecyl-1,2,3,4-tetrazol-2-yl)-2-phenyl-butanoic acid Openeye Name: 2-(5-dodecyltetrazol-2-yl)-2-phenyl-butanoic acid CAS Name: 2-(5-dodecyl-2-tetrazolyl)-2-phenylbutanoic acid IUPAC Name: 2-(5-dodecyltetrazol-2-yl)-2-phenylbutanoic acid Traditional Name: 2-(5-lauryltetrazol-2-yl)-2-phenyl-butyric acid Formula: C23H36N4O2 MolecularWeight: 400.55754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=NN(N=N1)C(CC)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=NN(N=N1)C(CC)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H36N4O2/c1-3-5-6-7-8-9-10-11-12-16-19-21-24-26-27(25-21)23(4-2,22(28)29)20-17-14-13-15-18-20/h13-15,17-18H,3-12,16,19H2,1-2H3,(H,28,29)