1-[(4-cyanophenyl)carbamoyl-[3-(trifluoromethyl)phenyl]amino]butan-2-yl ethanoate

Systemtic Name: 1-[(4-cyanophenyl)carbamoyl-[3-(trifluoromethyl)phenyl]amino]butan-2-yl ethanoate Openeye Name: 1-[[N-[(4-cyanophenyl)carbamoyl]-3-(trifluoromethyl)anilino]methyl]propyl acetate CAS Name: acetic acid 1-[N-[(4-cyanoanilino)-oxomethyl]-3-(trifluoromethyl)anilino]butan-2-yl ester IUPAC Name: 1-[N-[(4-cyanophenyl)carbamoyl]-3-(trifluoromethyl)anilino]butan-2-yl acetate Traditional Name: acetic acid 1-[[N-[(4-cyanophenyl)carbamoyl]-3-(trifluoromethyl)anilino]methyl]propyl ester Formula: C21H20F3N3O3 MolecularWeight: 419.39701

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN(C1=CC=CC(=C1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)C#N)OC(=O)C

Isomeric SMILES

CCC(CN(C1=CC=CC(=C1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)C#N)OC(=O)C

InChI

InChI=1S/C21H20F3N3O3/c1-3-19(30-14(2)28)13-27(18-6-4-5-16(11-18)21(22,23)24)20(29)26-17-9-7-15(12-25)8-10-17/h4-11,19H,3,13H2,1-2H3,(H,26,29)