1-[[3-fluoranyl-4-[6-(1-pyrrolidin-1-ylcyclopropyl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[3-fluoranyl-4-[6-(1-pyrrolidin-1-ylcyclopropyl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[3-fluoro-4-[6-(1-pyrrolidin-1-ylcyclopropyl)benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[3-fluoro-4-[6-[1-(1-pyrrolidinyl)cyclopropyl]-2-benzofuranyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[3-fluoro-4-[6-(1-pyrrolidin-1-ylcyclopropyl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[3-fluoro-4-[6-(1-pyrrolidinocyclopropyl)benzofuran-2-yl]benzyl]azetidine-3-carboxylic acid Formula: C26H27FN2O3 MolecularWeight: 434.502583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2(CC2)C3=CC4=C(C=C3)C=C(O4)C5=C(C=C(C=C5)CN6CC(C6)C(=O)O)F

Isomeric SMILES

C1CCN(C1)C2(CC2)C3=CC4=C(C=C3)C=C(O4)C5=C(C=C(C=C5)CN6CC(C6)C(=O)O)F

InChI

InChI=1S/C26H27FN2O3/c27-22-11-17(14-28-15-19(16-28)25(30)31)3-6-21(22)24-12-18-4-5-20(13-23(18)32-24)26(7-8-26)29-9-1-2-10-29/h3-6,11-13,19H,1-2,7-10,14-16H2,(H,30,31)