(2-methoxy-5-methyl-phenyl)methyl 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C17H16N4O3/c1-12-3-8-16(23-2)14(9-12)10-24-17(22)13-4-6-15(7-5-13)21-11-18-19-20-21/h3-9,11H,10H2,1-2H3