3-[[2-(4-cyclohexyl-3-fluoranyl-phenyl)-1,3-benzoxazol-6-yl]methylamino]propanoic acid

Systemtic Name: 3-[[2-(4-cyclohexyl-3-fluoranyl-phenyl)-1,3-benzoxazol-6-yl]methylamino]propanoic acid Openeye Name: 3-[[2-(4-cyclohexyl-3-fluoro-phenyl)-1,3-benzoxazol-6-yl]methylamino]propanoic acid CAS Name: 3-[[2-(4-cyclohexyl-3-fluorophenyl)-1,3-benzoxazol-6-yl]methylamino]propanoic acid IUPAC Name: 3-[[2-(4-cyclohexyl-3-fluorophenyl)-1,3-benzoxazol-6-yl]methylamino]propanoic acid Traditional Name: 3-[[2-(4-cyclohexyl-3-fluoro-phenyl)-1,3-benzoxazol-6-yl]methylamino]propionic acid Formula: C23H25FN2O3 MolecularWeight: 396.454603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=C(C=C2)C3=NC4=C(O3)C=C(C=C4)CNCCC(=O)O)F

Isomeric SMILES

C1CCC(CC1)C2=C(C=C(C=C2)C3=NC4=C(O3)C=C(C=C4)CNCCC(=O)O)F

InChI

InChI=1S/C23H25FN2O3/c24-19-13-17(7-8-18(19)16-4-2-1-3-5-16)23-26-20-9-6-15(12-21(20)29-23)14-25-11-10-22(27)28/h6-9,12-13,16,25H,1-5,10-11,14H2,(H,27,28)