6-butyl-2-tert-butyl-quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-tert-butyl-quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-tert-butyl-quinoline-4-carboxylic acid CAS Name: 6-butyl-2-tert-butyl-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-tert-butylquinoline-4-carboxylic acid Traditional Name: 6-butyl-2-tert-butyl-cinchoninic acid Formula: C18H23NO2 MolecularWeight: 285.38072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO2/c1-5-6-7-12-8-9-15-13(10-12)14(17(20)21)11-16(19-15)18(2,3)4/h8-11H,5-7H2,1-4H3,(H,20,21)