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

Systemtic Name: heptyl 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: heptyl 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid heptyl ester IUPAC Name: heptyl 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid heptyl ester Formula: C23H24BrNO2 MolecularWeight: 426.34616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrNO2/c1-2-3-4-5-9-14-27-23(26)20-16-22(17-10-7-6-8-11-17)25-21-13-12-18(24)15-19(20)21/h6-8,10-13,15-16H,2-5,9,14H2,1H3