(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=CC=C2)N3C=NN=N3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=CC=C2)N3C=NN=N3)C)C(C)(C)C

InChI

InChI=1S/C21H24N4O2/c1-14-9-17(21(3,4)5)10-15(2)19(14)12-27-20(26)16-7-6-8-18(11-16)25-13-22-23-24-25/h6-11,13H,12H2,1-5H3