3-[[6-methoxy-2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid

Systemtic Name: 3-[[6-methoxy-2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Openeye Name: 3-[[6-methoxy-2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propanoic acid CAS Name: 3-[[6-methoxy-2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid IUPAC Name: 3-[[6-methoxy-2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Traditional Name: 3-[[6-methoxy-2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propionic acid Formula: C26H22F3NO3S MolecularWeight: 485.51799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(SC2=C1)C3=CC(=C(C=C3)C4=CC=CC=C4)C(F)(F)F)CNCCC(=O)O

Isomeric SMILES

COC1=C(C=C2C=C(SC2=C1)C3=CC(=C(C=C3)C4=CC=CC=C4)C(F)(F)F)CNCCC(=O)O

InChI

InChI=1S/C26H22F3NO3S/c1-33-22-14-24-18(11-19(22)15-30-10-9-25(31)32)13-23(34-24)17-7-8-20(16-5-3-2-4-6-16)21(12-17)26(27,28)29/h2-8,11-14,30H,9-10,15H2,1H3,(H,31,32)