6-butan-2-yl-2-(4-tert-butylphenyl)quinoline-4-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO2/c1-6-15(2)17-9-12-21-19(13-17)20(23(26)27)14-22(25-21)16-7-10-18(11-8-16)24(3,4)5/h7-15H,6H2,1-5H3,(H,26,27)