(3-cyano-3-phenyl-propyl) (E)-3-oxidanylidene-5-[2-(trifluoromethyl)phenyl]pent-4-enoate

Systemtic Name: (3-cyano-3-phenyl-propyl) (E)-3-oxidanylidene-5-[2-(trifluoromethyl)phenyl]pent-4-enoate Openeye Name: (3-cyano-3-phenyl-propyl) (E)-3-oxo-5-[2-(trifluoromethyl)phenyl]pent-4-enoate CAS Name: (E)-3-oxo-5-[2-(trifluoromethyl)phenyl]-4-pentenoic acid (3-cyano-3-phenylpropyl) ester IUPAC Name: (3-cyano-3-phenylpropyl) (E)-3-oxo-5-[2-(trifluoromethyl)phenyl]pent-4-enoate Traditional Name: (E)-3-keto-5-[2-(trifluoromethyl)phenyl]pent-4-enoic acid (3-cyano-3-phenyl-propyl) ester Formula: C22H18F3NO3 MolecularWeight: 401.37843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCOC(=O)CC(=O)C=CC2=CC=CC=C2C(F)(F)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CCOC(=O)CC(=O)/C=C/C2=CC=CC=C2C(F)(F)F)C#N

InChI

InChI=1S/C22H18F3NO3/c23-22(24,25)20-9-5-4-8-17(20)10-11-19(27)14-21(28)29-13-12-18(15-26)16-6-2-1-3-7-16/h1-11,18H,12-14H2/b11-10+