5-[6-[4-(2-bromanyl-5-fluoranyl-phenoxy)piperidin-1-yl]pyridin-3-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[6-[4-(2-bromanyl-5-fluoranyl-phenoxy)piperidin-1-yl]pyridin-3-yl]pyridine-3-carboxylic acid Openeye Name: 5-[6-[4-(2-bromo-5-fluoro-phenoxy)-1-piperidyl]-3-pyridyl]pyridine-3-carboxylic acid CAS Name: 5-[6-[4-(2-bromo-5-fluorophenoxy)-1-piperidinyl]-3-pyridinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[6-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyridin-3-yl]pyridine-3-carboxylic acid Traditional Name: 5-[6-[4-(2-bromo-5-fluoro-phenoxy)piperidino]-3-pyridyl]nicotinic acid Formula: C22H19BrFN3O3 MolecularWeight: 472.306963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=C(C=CC(=C2)F)Br)C3=NC=C(C=C3)C4=CC(=CN=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=C(C=CC(=C2)F)Br)C3=NC=C(C=C3)C4=CC(=CN=C4)C(=O)O

InChI

InChI=1S/C22H19BrFN3O3/c23-19-3-2-17(24)10-20(19)30-18-5-7-27(8-6-18)21-4-1-14(13-26-21)15-9-16(22(28)29)12-25-11-15/h1-4,9-13,18H,5-8H2,(H,28,29)