2-methylpropyl 6-bromanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: 2-methylpropyl 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: isobutyl 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid isobutyl ester Formula: C20H18BrNO2 MolecularWeight: 384.26642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO2/c1-13(2)12-24-20(23)17-11-19(14-6-4-3-5-7-14)22-18-9-8-15(21)10-16(17)18/h3-11,13H,12H2,1-2H3