heptyl 6-bromanyl-2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: heptyl 6-bromanyl-2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: heptyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-4-quinolinecarboxylic acid heptyl ester IUPAC Name: heptyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)cinchoninic acid heptyl ester Formula: C23H23BrClNO2 MolecularWeight: 460.79122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrClNO2/c1-2-3-4-5-6-13-28-23(27)20-15-22(16-7-10-18(25)11-8-16)26-21-12-9-17(24)14-19(20)21/h7-12,14-15H,2-6,13H2,1H3