2-(4-pentylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-pentylphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-pentylphenyl)quinoline-4-carboxylic acid CAS Name: 2-(4-pentylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-pentylphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-amylphenyl)cinchoninic acid Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C21H21NO2/c1-2-3-4-7-15-10-12-16(13-11-15)20-14-18(21(23)24)17-8-5-6-9-19(17)22-20/h5-6,8-14H,2-4,7H2,1H3,(H,23,24)