3-[[4-(5-cyclopentyl-1-benzofuran-2-yl)-3-fluoranyl-phenyl]methylamino]propanoic acid

Systemtic Name: 3-[[4-(5-cyclopentyl-1-benzofuran-2-yl)-3-fluoranyl-phenyl]methylamino]propanoic acid Openeye Name: 3-[[4-(5-cyclopentylbenzofuran-2-yl)-3-fluoro-phenyl]methylamino]propanoic acid CAS Name: 3-[[4-(5-cyclopentyl-2-benzofuranyl)-3-fluorophenyl]methylamino]propanoic acid IUPAC Name: 3-[[4-(5-cyclopentyl-1-benzofuran-2-yl)-3-fluorophenyl]methylamino]propanoic acid Traditional Name: 3-[[4-(5-cyclopentylbenzofuran-2-yl)-3-fluoro-benzyl]amino]propionic acid Formula: C23H24FNO3 MolecularWeight: 381.439963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=CC3=C(C=C2)OC(=C3)C4=C(C=C(C=C4)CNCCC(=O)O)F

Isomeric SMILES

C1CCC(C1)C2=CC3=C(C=C2)OC(=C3)C4=C(C=C(C=C4)CNCCC(=O)O)F

InChI

InChI=1S/C23H24FNO3/c24-20-11-15(14-25-10-9-23(26)27)5-7-19(20)22-13-18-12-17(6-8-21(18)28-22)16-3-1-2-4-16/h5-8,11-13,16,25H,1-4,9-10,14H2,(H,26,27)