1-[[3-fluoranyl-4-[5-(pyridin-2-ylmethyl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[3-fluoranyl-4-[5-(pyridin-2-ylmethyl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[3-fluoro-4-[5-(2-pyridylmethyl)benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[3-fluoro-4-[5-(2-pyridinylmethyl)-2-benzofuranyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[3-fluoro-4-[5-(pyridin-2-ylmethyl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[3-fluoro-4-[5-(2-pyridylmethyl)benzofuran-2-yl]benzyl]azetidine-3-carboxylic acid Formula: C25H21FN2O3 MolecularWeight: 416.444243

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1CC2=CC(=C(C=C2)C3=CC4=C(O3)C=CC(=C4)CC5=CC=CC=N5)F)C(=O)O

Isomeric SMILES

C1C(CN1CC2=CC(=C(C=C2)C3=CC4=C(O3)C=CC(=C4)CC5=CC=CC=N5)F)C(=O)O

InChI

InChI=1S/C25H21FN2O3/c26-22-11-17(13-28-14-19(15-28)25(29)30)4-6-21(22)24-12-18-9-16(5-7-23(18)31-24)10-20-3-1-2-8-27-20/h1-9,11-12,19H,10,13-15H2,(H,29,30)