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

Systemtic Name: 8-chloranyl-2-(4-heptylphenyl)quinoline-4-carboxylic acid Openeye Name: 8-chloro-2-(4-heptylphenyl)quinoline-4-carboxylic acid CAS Name: 8-chloro-2-(4-heptylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 8-chloro-2-(4-heptylphenyl)quinoline-4-carboxylic acid Traditional Name: 8-chloro-2-(4-heptylphenyl)cinchoninic acid Formula: C23H24ClNO2 MolecularWeight: 381.89516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O

InChI

InChI=1S/C23H24ClNO2/c1-2-3-4-5-6-8-16-11-13-17(14-12-16)21-15-19(23(26)27)18-9-7-10-20(24)22(18)25-21/h7,9-15H,2-6,8H2,1H3,(H,26,27)