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

Systemtic Name: 3-[[3-cyano-2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Openeye Name: 3-[[3-cyano-2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propanoic acid CAS Name: 3-[[3-cyano-2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid IUPAC Name: 3-[[3-cyano-2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Traditional Name: 3-[[3-cyano-2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propionic acid Formula: C26H19F3N2O2S MolecularWeight: 480.50147

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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)C#N)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)C#N)C(F)(F)F

InChI

InChI=1S/C26H19F3N2O2S/c27-26(28,29)22-13-18(7-8-19(22)17-4-2-1-3-5-17)25-21(14-30)20-12-16(6-9-23(20)34-25)15-31-11-10-24(32)33/h1-9,12-13,31H,10-11,15H2,(H,32,33)