4-morpholin-4-ylbutyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: 4-morpholin-4-ylbutyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: 4-morpholinobutyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid 4-(4-morpholinyl)butyl ester IUPAC Name: 4-morpholin-4-ylbutyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid 4-morpholinobutyl ester Formula: C21H24F3N3O3 MolecularWeight: 423.42877

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCOC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1COCCN1CCCCOC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O3/c22-21(23,24)16-5-3-6-17(15-16)26-19-18(7-4-8-25-19)20(28)30-12-2-1-9-27-10-13-29-14-11-27/h3-8,15H,1-2,9-14H2,(H,25,26)