(2-tert-butyl-1,2,3,4-tetrazol-5-yl) 3-phenylpropanoate

Systemtic Name: (2-tert-butyl-1,2,3,4-tetrazol-5-yl) 3-phenylpropanoate Openeye Name: (2-tert-butyltetrazol-5-yl) 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (2-tert-butyl-5-tetrazolyl) ester IUPAC Name: (2-tert-butyltetrazol-5-yl) 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (2-tert-butyltetrazol-5-yl) ester Formula: C14H18N4O2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1N=C(N=N1)OC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)N1N=C(N=N1)OC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C14H18N4O2/c1-14(2,3)18-16-13(15-17-18)20-12(19)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3