6-bromanyl-2-(4-butylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(4-butylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(4-butylphenyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(4-butylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(4-butylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(4-butylphenyl)cinchoninic acid Formula: C20H18BrNO2 MolecularWeight: 384.26642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

InChI

InChI=1S/C20H18BrNO2/c1-2-3-4-13-5-7-14(8-6-13)19-12-17(20(23)24)16-11-15(21)9-10-18(16)22-19/h5-12H,2-4H2,1H3,(H,23,24)