6-bromanyl-2-(4-propoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-(4-propoxyphenyl)quinoline-4-carboxylate Openeye Name: 6-bromo-2-(4-propoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-propoxyphenyl)-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-(4-propoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-propoxyphenyl)cinchoninate Formula: C19H15BrNO3- MolecularWeight: 385.2313

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C19H16BrNO3/c1-2-9-24-14-6-3-12(4-7-14)18-11-16(19(22)23)15-10-13(20)5-8-17(15)21-18/h3-8,10-11H,2,9H2,1H3,(H,22,23)/p-1