6-butyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(4-ethylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(4-ethylphenyl)cinchoninic acid Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)CC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)CC

InChI

InChI=1S/C22H23NO2/c1-3-5-6-16-9-12-20-18(13-16)19(22(24)25)14-21(23-20)17-10-7-15(4-2)8-11-17/h7-14H,3-6H2,1-2H3,(H,24,25)