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

Systemtic Name: 3-[[2-[4-butan-2-yloxy-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Openeye Name: 3-[[2-[4-sec-butoxy-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propanoic acid CAS Name: 3-[[2-[4-butan-2-yloxy-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid IUPAC Name: 3-[[2-[4-butan-2-yloxy-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Traditional Name: 3-[[2-[4-sec-butoxy-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propionic acid Formula: C23H24F3NO3S MolecularWeight: 451.50177

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C2=CC3=C(S2)C=CC(=C3)CNCCC(=O)O)C(F)(F)F

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1)C2=CC3=C(S2)C=CC(=C3)CNCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C23H24F3NO3S/c1-3-14(2)30-19-6-5-16(11-18(19)23(24,25)26)21-12-17-10-15(4-7-20(17)31-21)13-27-9-8-22(28)29/h4-7,10-12,14,27H,3,8-9,13H2,1-2H3,(H,28,29)