6-bromanyl-3-methyl-2-(4-propoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-3-methyl-2-(4-propoxyphenyl)quinoline-4-carboxylate Openeye Name: 6-bromo-3-methyl-2-(4-propoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-3-methyl-2-(4-propoxyphenyl)-4-quinolinecarboxylate IUPAC Name: 6-bromo-3-methyl-2-(4-propoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-3-methyl-2-(4-propoxyphenyl)cinchoninate Formula: C20H17BrNO3- MolecularWeight: 399.25788

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)[O-])C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)[O-])C

InChI

InChI=1S/C20H18BrNO3/c1-3-10-25-15-7-4-13(5-8-15)19-12(2)18(20(23)24)16-11-14(21)6-9-17(16)22-19/h4-9,11H,3,10H2,1-2H3,(H,23,24)/p-1