ethyl 2-(2-dodecyl-1,2,3,4-tetrazol-5-yl)-2-phenyl-ethanoate

Systemtic Name: ethyl 2-(2-dodecyl-1,2,3,4-tetrazol-5-yl)-2-phenyl-ethanoate Openeye Name: ethyl 2-(2-dodecyltetrazol-5-yl)-2-phenyl-acetate CAS Name: 2-(2-dodecyl-5-tetrazolyl)-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-(2-dodecyltetrazol-5-yl)-2-phenylacetate Traditional Name: 2-(2-lauryltetrazol-5-yl)-2-phenyl-acetic acid ethyl ester Formula: C23H36N4O2 MolecularWeight: 400.55754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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