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

Systemtic Name: 3-[[3-bromanyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Openeye Name: 3-[[3-bromo-2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propanoic acid CAS Name: 3-[[3-bromo-2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid IUPAC Name: 3-[[3-bromo-2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Traditional Name: 3-[[3-bromo-2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-5-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=C(C4=C(S3)C=CC(=C4)CNCCC(=O)O)Br)C(F)(F)F

Isomeric SMILES

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

InChI

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