tert-butyl 2-cyano-3-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]propanoate

Systemtic Name: tert-butyl 2-cyano-3-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]propanoate Openeye Name: tert-butyl 2-cyano-3-(1-naphthyl)-3-[2-(trifluoromethyl)phenyl]propanoate CAS Name: 2-cyano-3-(1-naphthalenyl)-3-[2-(trifluoromethyl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-3-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]propanoate Traditional Name: 2-cyano-3-(1-naphthyl)-3-[2-(trifluoromethyl)phenyl]propionic acid tert-butyl ester Formula: C25H22F3NO2 MolecularWeight: 425.44289

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C#N)C(C1=CC=CC=C1C(F)(F)F)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)C(C#N)C(C1=CC=CC=C1C(F)(F)F)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H22F3NO2/c1-24(2,3)31-23(30)20(15-29)22(19-12-6-7-14-21(19)25(26,27)28)18-13-8-10-16-9-4-5-11-17(16)18/h4-14,20,22H,1-3H3