6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(4-isopropylphenyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(4-propan-2-ylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-p-cumenyl-cinchoninic acid Formula: C23H25NO2 MolecularWeight: 347.4501

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO2/c1-4-5-6-16-7-12-21-19(13-16)20(23(25)26)14-22(24-21)18-10-8-17(9-11-18)15(2)3/h7-15H,4-6H2,1-3H3,(H,25,26)