[1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C22H17F3N2O3 MolecularWeight: 414.37719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H17F3N2O3/c1-14(21(29)27-18-10-7-16(8-11-18)22(23,24)25)30-20(28)13-12-17-9-6-15-4-2-3-5-19(15)26-17/h2-14H,1H3,(H,27,29)/b13-12+