3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]methylamino]propanoic acid

Systemtic Name: 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]methylamino]propanoic acid Openeye Name: 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-6-yl]methylamino]propanoic acid CAS Name: 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]methylamino]propanoic acid IUPAC Name: 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]methylamino]propanoic acid Traditional Name: 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-6-yl]methylamino]propionic acid Formula: C25H20F3NO2S MolecularWeight: 455.49201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC4=C(S3)C=C(C=C4)CNCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC4=C(S3)C=C(C=C4)CNCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C25H20F3NO2S/c26-25(27,28)21-13-18(8-9-20(21)17-4-2-1-3-5-17)23-14-19-7-6-16(12-22(19)32-23)15-29-11-10-24(30)31/h1-9,12-14,29H,10-11,15H2,(H,30,31)