[5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 3-chloranyladamantane-1-carboxylate Openeye Name: (5,7-dichloro-2-methyl-8-quinolyl) 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid (5,7-dichloro-2-methyl-8-quinolinyl) ester IUPAC Name: (5,7-dichloro-2-methylquinolin-8-yl) 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid (5,7-dichloro-2-methyl-8-quinolyl) ester Formula: C21H20Cl3NO2 MolecularWeight: 424.748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C34CC5CC(C3)CC(C5)(C4)Cl)Cl)Cl

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C34CC5CC(C3)CC(C5)(C4)Cl)Cl)Cl

InChI

InChI=1S/C21H20Cl3NO2/c1-11-2-3-14-15(22)5-16(23)18(17(14)25-11)27-19(26)20-6-12-4-13(7-20)9-21(24,8-12)10-20/h2-3,5,12-13H,4,6-10H2,1H3