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

Systemtic Name: sodium 6-[2-[5-bromanyl-2-(cyclopropylmethoxy)phenyl]phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-[5-bromo-2-(cyclopropylmethoxy)phenyl]phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-[5-bromo-2-(cyclopropylmethoxy)phenyl]phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-[5-bromo-2-(cyclopropylmethoxy)phenyl]phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-[5-bromo-2-(cyclopropylmethoxy)phenyl]phenyl]picolinate Formula: C22H17BrNNaO3 MolecularWeight: 446.26905

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2=C(C=C(C=C2)Br)C3=CC=CC=C3C4=NC(=CC=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1CC1COC2=C(C=C(C=C2)Br)C3=CC=CC=C3C4=NC(=CC=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H18BrNO3.Na/c23-15-10-11-21(27-13-14-8-9-14)18(12-15)16-4-1-2-5-17(16)19-6-3-7-20(24-19)22(25)26;/h1-7,10-12,14H,8-9,13H2,(H,25,26);/q;+1/p-1