6-[4-carboxy-2-(4-heptylphenyl)quinolin-6-yl]oxy-2-(4-heptylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-[4-carboxy-2-(4-heptylphenyl)quinolin-6-yl]oxy-2-(4-heptylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-[[4-carboxy-2-(4-heptylphenyl)-6-quinolyl]oxy]-2-(4-heptylphenyl)quinoline-4-carboxylic acid CAS Name: 6-[[4-carboxy-2-(4-heptylphenyl)-6-quinolinyl]oxy]-2-(4-heptylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-[4-carboxy-2-(4-heptylphenyl)quinolin-6-yl]oxy-2-(4-heptylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-[[4-carboxy-2-(4-heptylphenyl)-6-quinolyl]oxy]-2-(4-heptylphenyl)cinchoninic acid Formula: C46H48N2O5 MolecularWeight: 708.88372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC4=CC5=C(C=C4)N=C(C=C5C(=O)O)C6=CC=C(C=C6)CCCCCCC)C(=C2)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC4=CC5=C(C=C4)N=C(C=C5C(=O)O)C6=CC=C(C=C6)CCCCCCC)C(=C2)C(=O)O

InChI

InChI=1S/C46H48N2O5/c1-3-5-7-9-11-13-31-15-19-33(20-16-31)43-29-39(45(49)50)37-27-35(23-25-41(37)47-43)53-36-24-26-42-38(28-36)40(46(51)52)30-44(48-42)34-21-17-32(18-22-34)14-12-10-8-6-4-2/h15-30H,3-14H2,1-2H3,(H,49,50)(H,51,52)