6-butyl-2-(4-tert-butylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-(4-tert-butylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(4-tert-butylphenyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(4-tert-butylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(4-tert-butylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(4-tert-butylphenyl)cinchoninic acid Formula: C24H27NO2 MolecularWeight: 361.47668

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO2/c1-5-6-7-16-8-13-21-19(14-16)20(23(26)27)15-22(25-21)17-9-11-18(12-10-17)24(2,3)4/h8-15H,5-7H2,1-4H3,(H,26,27)