2-[[2-isoquinolin-1-yl-4-(4-methylphenyl)-5-phenyl-1H-pyrrol-3-yl]oxy]benzoic acid

Systemtic Name: 2-[[2-isoquinolin-1-yl-4-(4-methylphenyl)-5-phenyl-1H-pyrrol-3-yl]oxy]benzoic acid Openeye Name: 2-[[2-(1-isoquinolyl)-5-phenyl-4-(p-tolyl)-1H-pyrrol-3-yl]oxy]benzoic acid CAS Name: 2-[[2-(1-isoquinolinyl)-4-(4-methylphenyl)-5-phenyl-1H-pyrrol-3-yl]oxy]benzoic acid IUPAC Name: 2-[[2-isoquinolin-1-yl-4-(4-methylphenyl)-5-phenyl-1H-pyrrol-3-yl]oxy]benzoic acid Traditional Name: 2-[[2-(1-isoquinolyl)-5-phenyl-4-(p-tolyl)-1H-pyrrol-3-yl]oxy]benzoic acid Formula: C33H24N2O3 MolecularWeight: 496.55526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(NC(=C2OC3=CC=CC=C3C(=O)O)C4=NC=CC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(NC(=C2OC3=CC=CC=C3C(=O)O)C4=NC=CC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C33H24N2O3/c1-21-15-17-23(18-16-21)28-29(24-10-3-2-4-11-24)35-31(30-25-12-6-5-9-22(25)19-20-34-30)32(28)38-27-14-8-7-13-26(27)33(36)37/h2-20,35H,1H3,(H,36,37)