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

Systemtic Name: 1-[[3-fluoranyl-4-[5-(1-phenylethyl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[3-fluoro-4-[5-(1-phenylethyl)benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[3-fluoro-4-[5-(1-phenylethyl)-2-benzofuranyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[3-fluoro-4-[5-(1-phenylethyl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[3-fluoro-4-[5-(1-phenylethyl)benzofuran-2-yl]benzyl]azetidine-3-carboxylic acid Formula: C27H24FNO3 MolecularWeight: 429.482763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC3=C(C=C2)OC(=C3)C4=C(C=C(C=C4)CN5CC(C5)C(=O)O)F

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC3=C(C=C2)OC(=C3)C4=C(C=C(C=C4)CN5CC(C5)C(=O)O)F

InChI

InChI=1S/C27H24FNO3/c1-17(19-5-3-2-4-6-19)20-8-10-25-21(12-20)13-26(32-25)23-9-7-18(11-24(23)28)14-29-15-22(16-29)27(30)31/h2-13,17,22H,14-16H2,1H3,(H,30,31)