(3-fluorophenyl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: (3-fluorophenyl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: (3-fluorophenyl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (3-fluorobenzyl) ester Formula: C17H14FN3O2 MolecularWeight: 311.310363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14FN3O2/c18-16-3-1-2-14(8-16)10-23-17(22)15-6-4-13(5-7-15)9-21-12-19-11-20-21/h1-8,11-12H,9-10H2