2-(pyridin-3-ylcarbonylamino)ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: 2-(pyridine-3-carbonylamino)ethyl 2-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 2-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 2-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoic acid 2-nicotinamidoethyl ester Formula: C25H19F3N4O3 MolecularWeight: 480.43857

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCCNC(=O)C2=CN=CC=C2)NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCCNC(=O)C2=CN=CC=C2)NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

InChI

InChI=1S/C25H19F3N4O3/c26-25(27,28)17-7-8-18-21(9-11-30-22(18)14-17)32-20-6-2-1-5-19(20)24(34)35-13-12-31-23(33)16-4-3-10-29-15-16/h1-11,14-15H,12-13H2,(H,30,32)(H,31,33)