potassium 6-bromanyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxylate

Systemtic Name: potassium 6-bromanyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxylate Openeye Name: potassium 6-bromo-2-(3-isopropoxyphenyl)quinoline-4-carboxylate CAS Name: potassium 6-bromo-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxylate IUPAC Name: potassium 6-bromo-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxylate Traditional Name: potassium 6-bromo-2-(3-isopropoxyphenyl)cinchoninate Formula: C19H15BrKNO3 MolecularWeight: 424.3296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrNO3.K/c1-11(2)24-14-5-3-4-12(8-14)18-10-16(19(22)23)15-9-13(20)6-7-17(15)21-18;/h3-11H,1-2H3,(H,22,23);/q;+1/p-1