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

Systemtic Name: 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-4-yl]methylamino]propanoic acid Openeye Name: 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-4-yl]methylamino]propanoic acid CAS Name: 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-4-yl]methylamino]propanoic acid IUPAC Name: 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-4-yl]methylamino]propanoic acid Traditional Name: 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-4-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(C=CC=C4S3)CNCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC4=C(C=CC=C4S3)CNCCC(=O)O)C(F)(F)F

InChI

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