sodium 2-[3-[2-(7-bromanylquinolin-2-yl)ethynyl]phenoxy]propanoate

Systemtic Name: sodium 2-[3-[2-(7-bromanylquinolin-2-yl)ethynyl]phenoxy]propanoate Openeye Name: sodium 2-[3-[2-(7-bromo-2-quinolyl)ethynyl]phenoxy]propanoate CAS Name: sodium 2-[3-[2-(7-bromo-2-quinolinyl)ethynyl]phenoxy]propanoate IUPAC Name: sodium 2-[3-[2-(7-bromoquinolin-2-yl)ethynyl]phenoxy]propanoate Traditional Name: sodium 2-[3-[2-(7-bromo-2-quinolyl)ethynyl]phenoxy]propionate Formula: C20H13BrNNaO3 MolecularWeight: 418.21589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=CC(=C1)C#CC2=NC3=C(C=CC(=C3)Br)C=C2.[Na+]

Isomeric SMILES

CC(C(=O)[O-])OC1=CC=CC(=C1)C#CC2=NC3=C(C=CC(=C3)Br)C=C2.[Na+]

InChI

InChI=1S/C20H14BrNO3.Na/c1-13(20(23)24)25-18-4-2-3-14(11-18)5-9-17-10-7-15-6-8-16(21)12-19(15)22-17;/h2-4,6-8,10-13H,1H3,(H,23,24);/q;+1/p-1