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

Systemtic Name: pentyl 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: pentyl 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid amyl ester Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO2/c1-2-3-7-12-25-21(24)18-14-20(15-8-5-4-6-9-15)23-19-11-10-16(22)13-17(18)19/h4-6,8-11,13-14H,2-3,7,12H2,1H3