(4-tert-butylphenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (4-tert-butylphenyl)methyl 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid (4-tert-butylbenzyl) ester Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)N3C=NN=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)N3C=NN=N3

InChI

InChI=1S/C19H20N4O2/c1-19(2,3)16-9-7-14(8-10-16)12-25-18(24)15-5-4-6-17(11-15)23-13-20-21-22-23/h4-11,13H,12H2,1-3H3