8-chloranyl-2-(4-pentylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 8-chloranyl-2-(4-pentylphenyl)quinoline-4-carboxylic acid Openeye Name: 8-chloro-2-(4-pentylphenyl)quinoline-4-carboxylic acid CAS Name: 8-chloro-2-(4-pentylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 8-chloro-2-(4-pentylphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-amylphenyl)-8-chloro-cinchoninic acid Formula: C21H20ClNO2 MolecularWeight: 353.842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O

InChI

InChI=1S/C21H20ClNO2/c1-2-3-4-6-14-9-11-15(12-10-14)19-13-17(21(24)25)16-7-5-8-18(22)20(16)23-19/h5,7-13H,2-4,6H2,1H3,(H,24,25)