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

Systemtic Name: 8-bromanyl-2-(4-heptylphenyl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 8-bromo-2-(4-heptylphenyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 8-bromo-2-(4-heptylphenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 8-bromo-2-(4-heptylphenyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 8-bromo-2-(4-heptylphenyl)-6-methyl-cinchoninic acid Formula: C24H26BrNO2 MolecularWeight: 440.37274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)O)C)Br

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)O)C)Br

InChI

InChI=1S/C24H26BrNO2/c1-3-4-5-6-7-8-17-9-11-18(12-10-17)22-15-20(24(27)28)19-13-16(2)14-21(25)23(19)26-22/h9-15H,3-8H2,1-2H3,(H,27,28)