[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C19H22FN3O3 MolecularWeight: 359.394683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=C(N=CC=C1)NC2=CC=CC=C2F

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=C(N=CC=C1)NC2=CC=CC=C2F

InChI

InChI=1S/C19H22FN3O3/c1-13(2)9-11-21-17(24)12-26-19(25)14-6-5-10-22-18(14)23-16-8-4-3-7-15(16)20/h3-8,10,13H,9,11-12H2,1-2H3,(H,21,24)(H,22,23)