hexyl 8-chloranyl-2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: hexyl 8-chloranyl-2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: hexyl 8-chloro-2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 8-chloro-2-(4-chlorophenyl)-4-quinolinecarboxylic acid hexyl ester IUPAC Name: hexyl 8-chloro-2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 8-chloro-2-(4-chlorophenyl)cinchoninic acid hexyl ester Formula: C22H21Cl2NO2 MolecularWeight: 402.31364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=NC2=C1C=CC=C2Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=NC2=C1C=CC=C2Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21Cl2NO2/c1-2-3-4-5-13-27-22(26)18-14-20(15-9-11-16(23)12-10-15)25-21-17(18)7-6-8-19(21)24/h6-12,14H,2-5,13H2,1H3