[3-[(phenylmethyl)carbamoyl]phenyl] 6-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: [3-[(phenylmethyl)carbamoyl]phenyl] 6-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: [3-(benzylcarbamoyl)phenyl] 6-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-(trifluoromethyl)-3-pyridinecarboxylic acid [3-[oxo-[(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-(benzylcarbamoyl)phenyl] 6-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-(trifluoromethyl)nicotinic acid [3-(benzylcarbamoyl)phenyl] ester Formula: C21H15F3N2O3 MolecularWeight: 400.35061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)OC(=O)C3=CN=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)OC(=O)C3=CN=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H15F3N2O3/c22-21(23,24)18-10-9-16(13-25-18)20(28)29-17-8-4-7-15(11-17)19(27)26-12-14-5-2-1-3-6-14/h1-11,13H,12H2,(H,26,27)