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

Systemtic Name: 1-[[2-fluoranyl-4-[5-(phenylmethyl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-(5-benzylbenzofuran-2-yl)-2-fluoro-phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[2-fluoro-4-[5-(phenylmethyl)-2-benzofuranyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-(5-benzyl-1-benzofuran-2-yl)-2-fluorophenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-(5-benzylbenzofuran-2-yl)-2-fluoro-benzyl]azetidine-3-carboxylic acid Formula: C26H22FNO3 MolecularWeight: 415.456183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22FNO3/c27-23-12-19(7-8-20(23)14-28-15-22(16-28)26(29)30)25-13-21-11-18(6-9-24(21)31-25)10-17-4-2-1-3-5-17/h1-9,11-13,22H,10,14-16H2,(H,29,30)