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

Systemtic Name: 1-[[3-fluoranyl-4-[5-(1-phenylcyclopropyl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[3-fluoro-4-[5-(1-phenylcyclopropyl)benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[3-fluoro-4-[5-(1-phenylcyclopropyl)-2-benzofuranyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[3-fluoro-4-[5-(1-phenylcyclopropyl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[3-fluoro-4-[5-(1-phenylcyclopropyl)benzofuran-2-yl]benzyl]azetidine-3-carboxylic acid Formula: C28H24FNO3 MolecularWeight: 441.493463

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)C3=CC4=C(C=C3)OC(=C4)C5=C(C=C(C=C5)CN6CC(C6)C(=O)O)F

Isomeric SMILES

C1CC1(C2=CC=CC=C2)C3=CC4=C(C=C3)OC(=C4)C5=C(C=C(C=C5)CN6CC(C6)C(=O)O)F

InChI

InChI=1S/C28H24FNO3/c29-24-12-18(15-30-16-20(17-30)27(31)32)6-8-23(24)26-14-19-13-22(7-9-25(19)33-26)28(10-11-28)21-4-2-1-3-5-21/h1-9,12-14,20H,10-11,15-17H2,(H,31,32)