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

Systemtic Name: 3-[[3-bromanyl-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]methylamino]propanoic acid Openeye Name: 3-[[3-bromo-5-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-2-yl]methylamino]propanoic acid CAS Name: 3-[[3-bromo-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]methylamino]propanoic acid IUPAC Name: 3-[[3-bromo-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]methylamino]propanoic acid Traditional Name: 3-[[3-bromo-5-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-2-yl]methylamino]propionic acid Formula: C25H19BrF3NO2S MolecularWeight: 534.38807

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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=C3)SC(=C4Br)CNCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC4=C(C=C3)SC(=C4Br)CNCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C25H19BrF3NO2S/c26-24-19-12-16(7-9-21(19)33-22(24)14-30-11-10-23(31)32)17-6-8-18(15-4-2-1-3-5-15)20(13-17)25(27,28)29/h1-9,12-13,30H,10-11,14H2,(H,31,32)