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

Systemtic Name: 2-(4-heptylphenyl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-heptylphenyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(4-heptylphenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-heptylphenyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-heptylphenyl)-6-methyl-cinchoninic acid Formula: C24H27NO2 MolecularWeight: 361.47668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO2/c1-3-4-5-6-7-8-18-10-12-19(13-11-18)23-16-21(24(26)27)20-15-17(2)9-14-22(20)25-23/h9-16H,3-8H2,1-2H3,(H,26,27)