2-[[2,2-bis(bromomethyl)-6-pyridin-2-yl-1H-pyridin-4-yl]oxy]ethyl benzoate

Systemtic Name: 2-[[2,2-bis(bromomethyl)-6-pyridin-2-yl-1H-pyridin-4-yl]oxy]ethyl benzoate Openeye Name: 2-[[2,2-bis(bromomethyl)-6-(2-pyridyl)-1H-pyridin-4-yl]oxy]ethyl benzoate CAS Name: benzoic acid 2-[[2,2-bis(bromomethyl)-6-(2-pyridinyl)-1H-pyridin-4-yl]oxy]ethyl ester IUPAC Name: 2-[[2,2-bis(bromomethyl)-6-pyridin-2-yl-1H-pyridin-4-yl]oxy]ethyl benzoate Traditional Name: benzoic acid 2-[[2,2-bis(bromomethyl)-6-(2-pyridyl)-1H-pyridin-4-yl]oxy]ethyl ester Formula: C21H20Br2N2O3 MolecularWeight: 508.2031

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCOC2=CC(NC(=C2)C3=CC=CC=N3)(CBr)CBr

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCOC2=CC(NC(=C2)C3=CC=CC=N3)(CBr)CBr

InChI

InChI=1S/C21H20Br2N2O3/c22-14-21(15-23)13-17(12-19(25-21)18-8-4-5-9-24-18)27-10-11-28-20(26)16-6-2-1-3-7-16/h1-9,12-13,25H,10-11,14-15H2