ethyl 3-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-cyano-2-phenyl-butanoate

Systemtic Name: ethyl 3-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-cyano-2-phenyl-butanoate Openeye Name: ethyl 3-[4-chloro-3-(trifluoromethyl)phenyl]-4-cyano-2-phenyl-butanoate CAS Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-4-cyano-2-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 3-[4-chloro-3-(trifluoromethyl)phenyl]-4-cyano-2-phenylbutanoate Traditional Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-4-cyano-2-phenyl-butyric acid ethyl ester Formula: C20H17ClF3NO2 MolecularWeight: 395.80269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClF3NO2/c1-2-27-19(26)18(13-6-4-3-5-7-13)15(10-11-25)14-8-9-17(21)16(12-14)20(22,23)24/h3-9,12,15,18H,2,10H2,1H3