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

Systemtic Name: 1-[[3-fluoranyl-4-[5-(phenylmethyl)-1-benzofuran-2-yl]phenyl]methyl]-3-oxidanyl-azetidine-3-carboxylic acid Openeye Name: 1-[[4-(5-benzylbenzofuran-2-yl)-3-fluoro-phenyl]methyl]-3-hydroxy-azetidine-3-carboxylic acid CAS Name: 1-[[3-fluoro-4-[5-(phenylmethyl)-2-benzofuranyl]phenyl]methyl]-3-hydroxy-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-(5-benzyl-1-benzofuran-2-yl)-3-fluorophenyl]methyl]-3-hydroxyazetidine-3-carboxylic acid Traditional Name: 1-[4-(5-benzylbenzofuran-2-yl)-3-fluoro-benzyl]-3-hydroxy-azetidine-3-carboxylic acid Formula: C26H22FNO4 MolecularWeight: 431.455583

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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=C5)F)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H22FNO4/c27-22-12-19(14-28-15-26(31,16-28)25(29)30)6-8-21(22)24-13-20-11-18(7-9-23(20)32-24)10-17-4-2-1-3-5-17/h1-9,11-13,31H,10,14-16H2,(H,29,30)