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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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