2-[4-[(8-bromanyl-3-butyl-4-oxidanylidene-quinolin-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(8-bromanyl-3-butyl-4-oxidanylidene-quinolin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(8-bromo-3-butyl-4-oxo-1-quinolyl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(8-bromo-3-butyl-4-oxo-1-quinolinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(8-bromo-3-butyl-4-oxoquinolin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(8-bromo-3-butyl-4-keto-1-quinolyl)methyl]phenyl]benzoic acid Formula: C27H24BrNO3 MolecularWeight: 490.38836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C(C1=O)C=CC=C2Br)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=CN(C2=C(C1=O)C=CC=C2Br)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H24BrNO3/c1-2-3-7-20-17-29(25-23(26(20)30)10-6-11-24(25)28)16-18-12-14-19(15-13-18)21-8-4-5-9-22(21)27(31)32/h4-6,8-15,17H,2-3,7,16H2,1H3,(H,31,32)