6-butyl-2-(2,5-dimethylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-(2,5-dimethylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(2,5-dimethylphenyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(2,5-dimethylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(2,5-dimethylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(2,5-dimethylphenyl)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=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

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