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

Systemtic Name: 1-[[4-[5-(cyclohexylmethyl)-1-benzofuran-2-yl]-3-fluoranyl-phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-[5-(cyclohexylmethyl)benzofuran-2-yl]-3-fluoro-phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-[5-(cyclohexylmethyl)-2-benzofuranyl]-3-fluorophenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-[5-(cyclohexylmethyl)-1-benzofuran-2-yl]-3-fluorophenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-[5-(cyclohexylmethyl)benzofuran-2-yl]-3-fluoro-benzyl]azetidine-3-carboxylic acid Formula: C26H28FNO3 MolecularWeight: 421.503823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=CC3=C(C=C2)OC(=C3)C4=C(C=C(C=C4)CN5CC(C5)C(=O)O)F

Isomeric SMILES

C1CCC(CC1)CC2=CC3=C(C=C2)OC(=C3)C4=C(C=C(C=C4)CN5CC(C5)C(=O)O)F

InChI

InChI=1S/C26H28FNO3/c27-23-12-19(14-28-15-21(16-28)26(29)30)6-8-22(23)25-13-20-11-18(7-9-24(20)31-25)10-17-4-2-1-3-5-17/h6-9,11-13,17,21H,1-5,10,14-16H2,(H,29,30)