2-(1-adamantyl)-6,8-bis(chloranyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(1-adamantyl)-6,8-bis(chloranyl)quinoline-4-carboxylic acid Openeye Name: 2-(1-adamantyl)-6,8-dichloro-quinoline-4-carboxylic acid CAS Name: 2-(1-adamantyl)-6,8-dichloro-4-quinolinecarboxylic acid IUPAC Name: 2-(1-adamantyl)-6,8-dichloroquinoline-4-carboxylic acid Traditional Name: 2-(1-adamantyl)-6,8-dichloro-cinchoninic acid Formula: C20H19Cl2NO2 MolecularWeight: 376.27636

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C(C=C5C(=C4)C(=O)O)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C(C=C5C(=C4)C(=O)O)Cl)Cl

InChI

InChI=1S/C20H19Cl2NO2/c21-13-4-14-15(19(24)25)6-17(23-18(14)16(22)5-13)20-7-10-1-11(8-20)3-12(2-10)9-20/h4-6,10-12H,1-3,7-9H2,(H,24,25)