3-[[5-[4-cyclohexyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]methylamino]propanoic acid

Systemtic Name: 3-[[5-[4-cyclohexyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]methylamino]propanoic acid Openeye Name: 3-[[5-[4-cyclohexyl-3-(trifluoromethyl)phenyl]benzothiophen-2-yl]methylamino]propanoic acid CAS Name: 3-[[5-[4-cyclohexyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]methylamino]propanoic acid IUPAC Name: 3-[[5-[4-cyclohexyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]methylamino]propanoic acid Traditional Name: 3-[[5-[4-cyclohexyl-3-(trifluoromethyl)phenyl]benzothiophen-2-yl]methylamino]propionic acid Formula: C25H26F3NO2S MolecularWeight: 461.53965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=C(C=C2)C3=CC4=C(C=C3)SC(=C4)CNCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)C2=C(C=C(C=C2)C3=CC4=C(C=C3)SC(=C4)CNCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C25H26F3NO2S/c26-25(27,28)22-14-18(6-8-21(22)16-4-2-1-3-5-16)17-7-9-23-19(12-17)13-20(32-23)15-29-11-10-24(30)31/h6-9,12-14,16,29H,1-5,10-11,15H2,(H,30,31)