tert-butyl 2-[[4-cyano-3-(trifluoromethyl)phenyl]-propyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[4-cyano-3-(trifluoromethyl)phenyl]-propyl-amino]ethanoate Openeye Name: tert-butyl 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]acetate CAS Name: 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]acetate Traditional Name: 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]acetic acid tert-butyl ester Formula: C17H21F3N2O2 MolecularWeight: 342.35605

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)OC(C)(C)C)C1=CC(=C(C=C1)C#N)C(F)(F)F

Isomeric SMILES

CCCN(CC(=O)OC(C)(C)C)C1=CC(=C(C=C1)C#N)C(F)(F)F

InChI

InChI=1S/C17H21F3N2O2/c1-5-8-22(11-15(23)24-16(2,3)4)13-7-6-12(10-21)14(9-13)17(18,19)20/h6-7,9H,5,8,11H2,1-4H3