methyl 4-[[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]benzoate

Systemtic Name: methyl 4-[[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]benzoate Openeye Name: methyl 4-[[5-(4-isopropylphenyl)tetrazol-2-yl]methyl]benzoate CAS Name: 4-[[5-(4-propan-2-ylphenyl)-2-tetrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]benzoate Traditional Name: 4-[(5-p-cumenyltetrazol-2-yl)methyl]benzoic acid methyl ester Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=C(C=C3)C(=O)OC

InChI

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