1-[4-oxidanylidene-3-(pyridin-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl propanoate

Systemtic Name: 1-[4-oxidanylidene-3-(pyridin-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl propanoate Openeye Name: 1-[4-oxo-3-(2-pyridylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl propanoate CAS Name: propanoic acid 1-[4-oxo-3-[oxo-(2-pyridinylamino)methyl]-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl ester IUPAC Name: 1-[4-oxo-3-(pyridin-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl propanoate Traditional Name: propionic acid 1-[4-keto-3-(2-pyridylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl ester Formula: C22H20F3N3O4 MolecularWeight: 447.40711

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=O)C2=C(N1)C(=CC=C2)C(F)(F)F)C(=O)NC3=CC=CC=N3)OC(=O)CC

Isomeric SMILES

CCC(C1=C(C(=O)C2=C(N1)C(=CC=C2)C(F)(F)F)C(=O)NC3=CC=CC=N3)OC(=O)CC

InChI

InChI=1S/C22H20F3N3O4/c1-3-14(32-16(29)4-2)19-17(21(31)27-15-10-5-6-11-26-15)20(30)12-8-7-9-13(18(12)28-19)22(23,24)25/h5-11,14H,3-4H2,1-2H3,(H,28,30)(H,26,27,31)