[1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 6-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 6-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: 1-(benzylcarbamoyl)propyl 6-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-(trifluoromethyl)-3-pyridinecarboxylic acid [1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxobutan-2-yl] 6-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-(trifluoromethyl)nicotinic acid 1-(benzylcarbamoyl)propyl ester Formula: C18H17F3N2O3 MolecularWeight: 366.33439

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CN=C(C=C2)C(F)(F)F

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CN=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H17F3N2O3/c1-2-14(16(24)23-10-12-6-4-3-5-7-12)26-17(25)13-8-9-15(22-11-13)18(19,20)21/h3-9,11,14H,2,10H2,1H3,(H,23,24)