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

Systemtic Name: 2-(2-dodecyl-1,2,3,4-tetrazol-5-yl)-3-phenyl-propanoic acid Openeye Name: 2-(2-dodecyltetrazol-5-yl)-3-phenyl-propanoic acid CAS Name: 2-(2-dodecyl-5-tetrazolyl)-3-phenylpropanoic acid IUPAC Name: 2-(2-dodecyltetrazol-5-yl)-3-phenylpropanoic acid Traditional Name: 2-(2-lauryltetrazol-5-yl)-3-phenyl-propionic acid Formula: C22H34N4O2 MolecularWeight: 386.53096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1N=C(N=N1)C(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCN1N=C(N=N1)C(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H34N4O2/c1-2-3-4-5-6-7-8-9-10-14-17-26-24-21(23-25-26)20(22(27)28)18-19-15-12-11-13-16-19/h11-13,15-16,20H,2-10,14,17-18H2,1H3,(H,27,28)