2-[(4-cyanophenyl)methyl]-3,3,3-tris(fluoranyl)-2-phenyl-propanoic acid

Systemtic Name: 2-[(4-cyanophenyl)methyl]-3,3,3-tris(fluoranyl)-2-phenyl-propanoic acid Openeye Name: 2-[(4-cyanophenyl)methyl]-3,3,3-trifluoro-2-phenyl-propanoic acid CAS Name: 2-[(4-cyanophenyl)methyl]-3,3,3-trifluoro-2-phenylpropanoic acid IUPAC Name: 2-[(4-cyanophenyl)methyl]-3,3,3-trifluoro-2-phenylpropanoic acid Traditional Name: 2-(4-cyanobenzyl)-3,3,3-trifluoro-2-phenyl-propionic acid Formula: C17H12F3NO2 MolecularWeight: 319.27789

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)C#N)(C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)C#N)(C(=O)O)C(F)(F)F

InChI

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