sodium 6-[2-[5-bromanyl-2-(cyclobutylmethoxy)phenyl]phenyl]pyridine-2-carboxylate

Systemtic Name: sodium 6-[2-[5-bromanyl-2-(cyclobutylmethoxy)phenyl]phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-[5-bromo-2-(cyclobutylmethoxy)phenyl]phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-[5-bromo-2-(cyclobutylmethoxy)phenyl]phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-[5-bromo-2-(cyclobutylmethoxy)phenyl]phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-[5-bromo-2-(cyclobutylmethoxy)phenyl]phenyl]picolinate Formula: C23H19BrNNaO3 MolecularWeight: 460.29563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)COC2=C(C=C(C=C2)Br)C3=CC=CC=C3C4=NC(=CC=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1CC(C1)COC2=C(C=C(C=C2)Br)C3=CC=CC=C3C4=NC(=CC=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H20BrNO3.Na/c24-16-11-12-22(28-14-15-5-3-6-15)19(13-16)17-7-1-2-8-18(17)20-9-4-10-21(25-20)23(26)27;/h1-2,4,7-13,15H,3,5-6,14H2,(H,26,27);/q;+1/p-1