phenacyl 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: phenacyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: phenacyl 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid phenacyl ester Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O3/c22-17(15-4-2-1-3-5-15)11-24-18(23)16-8-6-14(7-9-16)10-21-13-19-12-20-21/h1-9,12-13H,10-11H2