(4-propan-2-ylphenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (4-isopropylphenyl)methyl 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid (4-isopropylbenzyl) ester Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2/c1-13(2)15-8-6-14(7-9-15)11-24-18(23)16-4-3-5-17(10-16)22-12-19-20-21-22/h3-10,12-13H,11H2,1-2H3