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

Systemtic Name: 3-[[3-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Openeye Name: 3-[[3-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propanoic acid CAS Name: 3-[[3-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid IUPAC Name: 3-[[3-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Traditional Name: 3-[[3-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propionic acid Formula: C26H22F3NO2S MolecularWeight: 469.51859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)CNCCC(=O)O)C3=CC(=C(C=C3)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)CNCCC(=O)O)C3=CC(=C(C=C3)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C26H22F3NO2S/c1-16-21-13-17(15-30-12-11-24(31)32)7-10-23(21)33-25(16)19-8-9-20(18-5-3-2-4-6-18)22(14-19)26(27,28)29/h2-10,13-14,30H,11-12,15H2,1H3,(H,31,32)