4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-yl-pyrrol-3-yl]benzoic acid

Systemtic Name: 4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-yl-pyrrol-3-yl]benzoic acid Openeye Name: 4-[2-(2-furyl)-1-methyl-5-(4-pyridyl)pyrrol-3-yl]benzoic acid CAS Name: 4-[2-(2-furanyl)-1-methyl-5-pyridin-4-yl-3-pyrrolyl]benzoic acid IUPAC Name: 4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid Traditional Name: 4-[2-(2-furyl)-1-methyl-5-(4-pyridyl)pyrrol-3-yl]benzoic acid Formula: C21H16N2O3 MolecularWeight: 344.36334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C2=CC=CO2)C3=CC=C(C=C3)C(=O)O)C4=CC=NC=C4

Isomeric SMILES

CN1C(=CC(=C1C2=CC=CO2)C3=CC=C(C=C3)C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C21H16N2O3/c1-23-18(15-8-10-22-11-9-15)13-17(20(23)19-3-2-12-26-19)14-4-6-16(7-5-14)21(24)25/h2-13H,1H3,(H,24,25)