[(E)-4-oxidanylidenepent-2-enyl] 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate

Systemtic Name: [(E)-4-oxidanylidenepent-2-enyl] 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: [(E)-4-oxopent-2-enyl] 2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 2-[[8-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid [(E)-4-oxopent-2-enyl] ester IUPAC Name: [(E)-4-oxopent-2-enyl] 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzoic acid [(E)-4-ketopent-2-enyl] ester Formula: C22H17F3N2O3 MolecularWeight: 414.37719

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CCOC(=O)C1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F

Isomeric SMILES

CC(=O)/C=C/COC(=O)C1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F

InChI

InChI=1S/C22H17F3N2O3/c1-14(28)6-5-13-30-21(29)16-7-2-3-10-18(16)27-19-11-12-26-20-15(19)8-4-9-17(20)22(23,24)25/h2-12H,13H2,1H3,(H,26,27)/b6-5+