potassium 6-bromanyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylate

Systemtic Name: potassium 6-bromanyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylate Openeye Name: potassium 6-bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylate CAS Name: potassium 6-bromo-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxylate IUPAC Name: potassium 6-bromo-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylate Traditional Name: potassium 6-bromo-2-(3-isobutoxyphenyl)cinchoninate Formula: C20H17BrKNO3 MolecularWeight: 438.35618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-].[K+]

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-].[K+]

InChI

InChI=1S/C20H18BrNO3.K/c1-12(2)11-25-15-5-3-4-13(8-15)19-10-17(20(23)24)16-9-14(21)6-7-18(16)22-19;/h3-10,12H,11H2,1-2H3,(H,23,24);/q;+1/p-1