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

Systemtic Name: 3-[[2-[4-(trifluoromethyloxy)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Openeye Name: 3-[[2-[4-(trifluoromethoxy)phenyl]benzothiophen-5-yl]methylamino]propanoic acid CAS Name: 3-[[2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid IUPAC Name: 3-[[2-[4-(trifluoromethoxy)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Traditional Name: 3-[[2-[4-(trifluoromethoxy)phenyl]benzothiophen-5-yl]methylamino]propionic acid Formula: C19H16F3NO3S MolecularWeight: 395.39545

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC3=C(S2)C=CC(=C3)CNCCC(=O)O)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=CC3=C(S2)C=CC(=C3)CNCCC(=O)O)OC(F)(F)F

InChI

InChI=1S/C19H16F3NO3S/c20-19(21,22)26-15-4-2-13(3-5-15)17-10-14-9-12(1-6-16(14)27-17)11-23-8-7-18(24)25/h1-6,9-10,23H,7-8,11H2,(H,24,25)