1-[[5-fluoranyl-6-[5-(phenylmethyl)-1-benzofuran-2-yl]pyridin-3-yl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[5-fluoranyl-6-[5-(phenylmethyl)-1-benzofuran-2-yl]pyridin-3-yl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[6-(5-benzylbenzofuran-2-yl)-5-fluoro-3-pyridyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[5-fluoro-6-[5-(phenylmethyl)-2-benzofuranyl]-3-pyridinyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[6-(5-benzyl-1-benzofuran-2-yl)-5-fluoropyridin-3-yl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[[6-(5-benzylbenzofuran-2-yl)-5-fluoro-3-pyridyl]methyl]azetidine-3-carboxylic acid Formula: C25H21FN2O3 MolecularWeight: 416.444243

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1CC2=CC(=C(N=C2)C3=CC4=C(O3)C=CC(=C4)CC5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1C(CN1CC2=CC(=C(N=C2)C3=CC4=C(O3)C=CC(=C4)CC5=CC=CC=C5)F)C(=O)O

InChI

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