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

Systemtic Name: hexyl 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: hexyl 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid hexyl ester IUPAC Name: hexyl 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid hexyl ester Formula: C22H22BrNO2 MolecularWeight: 412.31958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrNO2/c1-2-3-4-8-13-26-22(25)19-15-21(16-9-6-5-7-10-16)24-20-12-11-17(23)14-18(19)20/h5-7,9-12,14-15H,2-4,8,13H2,1H3