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

Systemtic Name: sodium 6-[2-[5-bromanyl-2-[(2S)-2-methylbutoxy]phenyl]phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-[5-bromo-2-[(2S)-2-methylbutoxy]phenyl]phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-[5-bromo-2-[(2S)-2-methylbutoxy]phenyl]phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-[5-bromo-2-[(2S)-2-methylbutoxy]phenyl]phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-[5-bromo-2-[(2S)-2-methylbutoxy]phenyl]phenyl]picolinate Formula: C23H21BrNNaO3 MolecularWeight: 462.31151

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC1=C(C=C(C=C1)Br)C2=CC=CC=C2C3=NC(=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CC[C@H](C)COC1=C(C=C(C=C1)Br)C2=CC=CC=C2C3=NC(=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H22BrNO3.Na/c1-3-15(2)14-28-22-12-11-16(24)13-19(22)17-7-4-5-8-18(17)20-9-6-10-21(25-20)23(26)27;/h4-13,15H,3,14H2,1-2H3,(H,26,27);/q;+1/p-1/t15-;/m0./s1