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

Systemtic Name: ethyl 2-(2-octyl-1,2,3,4-tetrazol-5-yl)-2-phenyl-ethanoate Openeye Name: ethyl 2-(2-octyltetrazol-5-yl)-2-phenyl-acetate CAS Name: 2-(2-octyl-5-tetrazolyl)-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-(2-octyltetrazol-5-yl)-2-phenylacetate Traditional Name: 2-(2-octyltetrazol-5-yl)-2-phenyl-acetic acid ethyl ester Formula: C19H28N4O2 MolecularWeight: 344.45122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1N=C(N=N1)C(C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCN1N=C(N=N1)C(C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C19H28N4O2/c1-3-5-6-7-8-12-15-23-21-18(20-22-23)17(19(24)25-4-2)16-13-10-9-11-14-16/h9-11,13-14,17H,3-8,12,15H2,1-2H3