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

Systemtic Name: ethyl 2-(1-dodecyl-1,2,3,4-tetrazol-5-yl)-3-phenyl-propanoate Openeye Name: ethyl 2-(1-dodecyltetrazol-5-yl)-3-phenyl-propanoate CAS Name: 2-(1-dodecyl-5-tetrazolyl)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(1-dodecyltetrazol-5-yl)-3-phenylpropanoate Traditional Name: 2-(1-lauryltetrazol-5-yl)-3-phenyl-propionic acid ethyl ester Formula: C24H38N4O2 MolecularWeight: 414.58412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=NN=N1)C(CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCN1C(=NN=N1)C(CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C24H38N4O2/c1-3-5-6-7-8-9-10-11-12-16-19-28-23(25-26-27-28)22(24(29)30-4-2)20-21-17-14-13-15-18-21/h13-15,17-18,22H,3-12,16,19-20H2,1-2H3