2-(3-bromanylphenoxy)ethyl 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: 2-(3-bromophenoxy)ethyl 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid 2-(3-bromophenoxy)ethyl ester Formula: C18H16BrN3O3 MolecularWeight: 402.24194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCOC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCOC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C18H16BrN3O3/c19-16-2-1-3-17(10-16)24-8-9-25-18(23)15-6-4-14(5-7-15)11-22-13-20-12-21-22/h1-7,10,12-13H,8-9,11H2