[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C23H22FN3O3 MolecularWeight: 407.437483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F)C

InChI

InChI=1S/C23H22FN3O3/c1-3-16-9-6-8-15(2)21(16)27-20(28)14-30-23(29)17-10-7-13-25-22(17)26-19-12-5-4-11-18(19)24/h4-13H,3,14H2,1-2H3,(H,25,26)(H,27,28)