5-(azetidin-1-ylmethoxy)-3-bromanyl-2-fluoranyl-pyridine; benzoic acid

Systemtic Name: 5-(azetidin-1-ylmethoxy)-3-bromanyl-2-fluoranyl-pyridine; benzoic acid Openeye Name: 5-(azetidin-1-ylmethoxy)-3-bromo-2-fluoro-pyridine; benzoic acid CAS Name: 5-(1-azetidinylmethoxy)-3-bromo-2-fluoropyridine; benzoic acid IUPAC Name: 5-(azetidin-1-ylmethoxy)-3-bromo-2-fluoropyridine; benzoic acid Traditional Name: 5-(azetidin-1-ylmethoxy)-3-bromo-2-fluoro-pyridine; benzoic acid Formula: C23H22BrFN2O5 MolecularWeight: 505.333583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)COC2=CC(=C(N=C2)F)Br.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1CN(C1)COC2=CC(=C(N=C2)F)Br.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H10BrFN2O.2C7H6O2/c10-8-4-7(5-12-9(8)11)14-6-13-2-1-3-13;2*8-7(9)6-4-2-1-3-5-6/h4-5H,1-3,6H2;2*1-5H,(H,8,9)