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

Systemtic Name: 2-[[2-isoquinolin-1-yl-4-(4-methoxyphenyl)-5-phenyl-1H-pyrrol-3-yl]oxy]benzoic acid Openeye Name: 2-[[2-(1-isoquinolyl)-4-(4-methoxyphenyl)-5-phenyl-1H-pyrrol-3-yl]oxy]benzoic acid CAS Name: 2-[[2-(1-isoquinolinyl)-4-(4-methoxyphenyl)-5-phenyl-1H-pyrrol-3-yl]oxy]benzoic acid IUPAC Name: 2-[[2-isoquinolin-1-yl-4-(4-methoxyphenyl)-5-phenyl-1H-pyrrol-3-yl]oxy]benzoic acid Traditional Name: 2-[[2-(1-isoquinolyl)-4-(4-methoxyphenyl)-5-phenyl-1H-pyrrol-3-yl]oxy]benzoic acid Formula: C33H24N2O4 MolecularWeight: 512.55466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C33H24N2O4/c1-38-24-17-15-22(16-18-24)28-29(23-10-3-2-4-11-23)35-31(30-25-12-6-5-9-21(25)19-20-34-30)32(28)39-27-14-8-7-13-26(27)33(36)37/h2-20,35H,1H3,(H,36,37)