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

Systemtic Name: ethyl 2-(2-hexadecyl-1,2,3,4-tetrazol-5-yl)-2-phenyl-ethanoate Openeye Name: ethyl 2-(2-hexadecyltetrazol-5-yl)-2-phenyl-acetate CAS Name: 2-(2-hexadecyl-5-tetrazolyl)-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-(2-hexadecyltetrazol-5-yl)-2-phenylacetate Traditional Name: 2-(2-cetyltetrazol-5-yl)-2-phenyl-acetic acid ethyl ester Formula: C27H44N4O2 MolecularWeight: 456.66386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1N=C(N=N1)C(C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCN1N=C(N=N1)C(C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C27H44N4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31-29-26(28-30-31)25(27(32)33-4-2)24-21-18-17-19-22-24/h17-19,21-22,25H,3-16,20,23H2,1-2H3