3-[2-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 3-[2-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]propanoic acid CAS Name: 3-[2-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 3-[2-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]propionic acid Formula: C17H12F3NO2 MolecularWeight: 319.27789

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=C(C=CC(=C2)C(F)(F)F)CCC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=C(C=CC(=C2)C(F)(F)F)CCC(=O)O)C#N

InChI

InChI=1S/C17H12F3NO2/c18-17(19,20)14-6-4-12(5-7-16(22)23)15(9-14)13-3-1-2-11(8-13)10-21/h1-4,6,8-9H,5,7H2,(H,22,23)