sodium 6-[2-[5-bromanyl-2-(oxan-4-ylmethoxy)phenyl]phenyl]pyridine-2-carboxylate

Systemtic Name: sodium 6-[2-[5-bromanyl-2-(oxan-4-ylmethoxy)phenyl]phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-[5-bromo-2-(tetrahydropyran-4-ylmethoxy)phenyl]phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-[5-bromo-2-(4-oxanylmethoxy)phenyl]phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-[5-bromo-2-(oxan-4-ylmethoxy)phenyl]phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-[5-bromo-2-(tetrahydropyran-4-ylmethoxy)phenyl]phenyl]picolinate Formula: C24H21BrNNaO4 MolecularWeight: 490.32161

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1COC2=C(C=C(C=C2)Br)C3=CC=CC=C3C4=NC(=CC=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1COCCC1COC2=C(C=C(C=C2)Br)C3=CC=CC=C3C4=NC(=CC=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C24H22BrNO4.Na/c25-17-8-9-23(30-15-16-10-12-29-13-11-16)20(14-17)18-4-1-2-5-19(18)21-6-3-7-22(26-21)24(27)28;/h1-9,14,16H,10-13,15H2,(H,27,28);/q;+1/p-1