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

Systemtic Name: 1-[[4-(5-cyclohexyl-1-benzofuran-2-yl)-3-fluoranyl-phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-(5-cyclohexylbenzofuran-2-yl)-3-fluoro-phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-(5-cyclohexyl-2-benzofuranyl)-3-fluorophenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-(5-cyclohexyl-1-benzofuran-2-yl)-3-fluorophenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-(5-cyclohexylbenzofuran-2-yl)-3-fluoro-benzyl]azetidine-3-carboxylic acid Formula: C25H26FNO3 MolecularWeight: 407.477243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26FNO3/c26-22-10-16(13-27-14-20(15-27)25(28)29)6-8-21(22)24-12-19-11-18(7-9-23(19)30-24)17-4-2-1-3-5-17/h6-12,17,20H,1-5,13-15H2,(H,28,29)