4-[[4-(6-bromanyl-4-phenyl-quinolin-2-yl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(6-bromanyl-4-phenyl-quinolin-2-yl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(6-bromo-4-phenyl-2-quinolyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-(6-bromo-4-phenyl-2-quinolinyl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(6-bromo-4-phenylquinolin-2-yl)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-(6-bromo-4-phenyl-2-quinolyl)anilino]-4-keto-butyric acid Formula: C25H19BrN2O3 MolecularWeight: 475.33396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)NC(=O)CCC(=O)O

InChI

InChI=1S/C25H19BrN2O3/c26-18-8-11-22-21(14-18)20(16-4-2-1-3-5-16)15-23(28-22)17-6-9-19(10-7-17)27-24(29)12-13-25(30)31/h1-11,14-15H,12-13H2,(H,27,29)(H,30,31)