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

Systemtic Name: 6-bromanyl-2-(4-butoxyphenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: 6-bromo-2-(4-butoxyphenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-butoxyphenyl)-3-methyl-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-(4-butoxyphenyl)-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-butoxyphenyl)-3-methyl-cinchoninate Formula: C21H19BrNO3- MolecularWeight: 413.28446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)[O-])C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)[O-])C

InChI

InChI=1S/C21H20BrNO3/c1-3-4-11-26-16-8-5-14(6-9-16)20-13(2)19(21(24)25)17-12-15(22)7-10-18(17)23-20/h5-10,12H,3-4,11H2,1-2H3,(H,24,25)/p-1