2-methylpropyl 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 2-methylpropyl 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: isobutyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)cinchoninic acid isobutyl ester Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20BrNO3/c1-13(2)12-26-21(24)18-11-20(14-4-7-16(25-3)8-5-14)23-19-9-6-15(22)10-17(18)19/h4-11,13H,12H2,1-3H3