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

Systemtic Name: 3-(azetidin-1-ylmethoxy)-5-bromanyl-pyridine; benzoic acid Openeye Name: 3-(azetidin-1-ylmethoxy)-5-bromo-pyridine; benzoic acid CAS Name: 3-(1-azetidinylmethoxy)-5-bromopyridine; benzoic acid IUPAC Name: 3-(azetidin-1-ylmethoxy)-5-bromopyridine; benzoic acid Traditional Name: 3-(azetidin-1-ylmethoxy)-5-bromo-pyridine; benzoic acid Formula: C23H23BrN2O5 MolecularWeight: 487.34312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11BrN2O.2C7H6O2/c10-8-4-9(6-11-5-8)13-7-12-2-1-3-12;2*8-7(9)6-4-2-1-3-5-6/h4-6H,1-3,7H2;2*1-5H,(H,8,9)