(2,5-dimethylphenyl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: (2,5-dimethylphenyl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (2,5-dimethylbenzyl) ester Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C19H19N3O2/c1-14-3-4-15(2)18(9-14)11-24-19(23)17-7-5-16(6-8-17)10-22-13-20-12-21-22/h3-9,12-13H,10-11H2,1-2H3