(3,5-dimethylphenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (3,5-dimethylphenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (3,5-dimethylbenzyl) ester Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2/c1-13-7-14(2)9-15(8-13)10-23-18(22)16-3-5-17(6-4-16)21-12-19-11-20-21/h3-9,11-12H,10H2,1-2H3