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

Systemtic Name: 2-[(2-isoquinolin-1-yl-4,5-diphenyl-1H-pyrrol-3-yl)oxy]benzoic acid Openeye Name: 2-[[2-(1-isoquinolyl)-4,5-diphenyl-1H-pyrrol-3-yl]oxy]benzoic acid CAS Name: 2-[[2-(1-isoquinolinyl)-4,5-diphenyl-1H-pyrrol-3-yl]oxy]benzoic acid IUPAC Name: 2-[(2-isoquinolin-1-yl-4,5-diphenyl-1H-pyrrol-3-yl)oxy]benzoic acid Traditional Name: 2-[[2-(1-isoquinolyl)-4,5-diphenyl-1H-pyrrol-3-yl]oxy]benzoic acid Formula: C32H22N2O3 MolecularWeight: 482.52868

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C32H22N2O3/c35-32(36)25-17-9-10-18-26(25)37-31-27(22-12-3-1-4-13-22)28(23-14-5-2-6-15-23)34-30(31)29-24-16-8-7-11-21(24)19-20-33-29/h1-20,34H,(H,35,36)