[1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [1-methyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-keto-1-methyl-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C22H17F3N2O3 MolecularWeight: 414.37719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)OC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)OC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C22H17F3N2O3/c1-14(21(29)27-18-9-3-8-17(13-18)22(23,24)25)30-19(28)11-10-16-6-2-5-15-7-4-12-26-20(15)16/h2-14H,1H3,(H,27,29)/b11-10+