6-bromanyl-2-(4-heptylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(4-heptylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(4-heptylphenyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(4-heptylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(4-heptylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(4-heptylphenyl)cinchoninic acid Formula: C23H24BrNO2 MolecularWeight: 426.34616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

InChI

InChI=1S/C23H24BrNO2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)22-15-20(23(26)27)19-14-18(24)12-13-21(19)25-22/h8-15H,2-7H2,1H3,(H,26,27)