4-cyano-4-phenyl-3-[3-(trifluoromethyl)phenyl]butanoate

Systemtic Name: 4-cyano-4-phenyl-3-[3-(trifluoromethyl)phenyl]butanoate Openeye Name: 4-cyano-4-phenyl-3-[3-(trifluoromethyl)phenyl]butanoate CAS Name: 4-cyano-4-phenyl-3-[3-(trifluoromethyl)phenyl]butanoate IUPAC Name: 4-cyano-4-phenyl-3-[3-(trifluoromethyl)phenyl]butanoate Traditional Name: 4-cyano-4-phenyl-3-[3-(trifluoromethyl)phenyl]butyrate Formula: C18H13F3NO2- MolecularWeight: 332.29653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C(CC(=O)[O-])C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)C(CC(=O)[O-])C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H14F3NO2/c19-18(20,21)14-8-4-7-13(9-14)15(10-17(23)24)16(11-22)12-5-2-1-3-6-12/h1-9,15-16H,10H2,(H,23,24)/p-1